25237170
  -OEChem-05042411042D

 56 58  0     0  0  0  0  0  0999 V2000
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2 13  1  0  0  0  0
  2 34  1  0  0  0  0
  3 29  2  0  0  0  0
  4 33  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 51  1  0  0  0  0
  8 24  2  0  0  0  0
  9 21  1  0  0  0  0
 10 33  1  0  0  0  0
 10 55  1  0  0  0  0
 10 56  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 23  1  0  0  0  0
 18 27  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 28  1  0  0  0  0
 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 20 29  1  0  0  0  0
 21 26  1  0  0  0  0
 22 40  1  0  0  0  0
 23 30  2  0  0  0  0
 23 33  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 31  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 30 32  1  0  0  0  0
 30 48  1  0  0  0  0
 31 32  2  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
25237170

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
742

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgAcAAAADAzhmAYyxoByRACpAjVzUwCSCAAkIgA6iAEmbNoMJ7aEtZuCOWDn6BEI6YeYyWCeKAACAAAKAABQAAQAABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(Z)-[3-[(2-carbamoylphenoxy)methyl]-4-methoxy-phenyl]methyleneamino]-3-methyl-4-nitro-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(Z)-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-methyl-4-nitrobenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>Z</I>)-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-methyl-4-nitrobenzamide

> <PUBCHEM_IUPAC_NAME>
N-[(Z)-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-methyl-4-nitrobenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(Z)-[3-[(2-aminocarbonylphenoxy)methyl]-4-methoxy-phenyl]methylideneamino]-3-methyl-4-nitro-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(Z)-[3-[(2-carbamoylphenoxy)methyl]-4-methoxy-benzylidene]amino]-3-methyl-4-nitro-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22N4O6/c1-15-11-17(8-9-20(15)28(31)32)24(30)27-26-13-16-7-10-21(33-2)18(12-16)14-34-22-6-4-3-5-19(22)23(25)29/h3-13H,14H2,1-2H3,(H2,25,29)(H,27,30)/b26-13-

> <PUBCHEM_IUPAC_INCHIKEY>
WFXXEAULVULCQX-ZMFRSBBQSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
462.15393443

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22N4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
462.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)C(=O)N/N=C\C2=CC(=C(C=C2)OC)COC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
149

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
462.15393443

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
11  14  8
13  16  8
14  15  8
15  17  8
16  17  8
18  23  8
18  27  8
19  21  8
19  22  8
20  22  8
20  25  8
21  26  8
23  30  8
25  26  8
27  31  8
30  32  8
31  32  8

$$$$