25975583
  -OEChem-05082411232D

 53 55  0     0  0  0  0  0  0999 V2000
    7.7331    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 22  1  0  0  0  0
  3 31  1  0  0  0  0
  4 15  2  0  0  0  0
  5 24  1  0  0  0  0
  5 50  1  0  0  0  0
  6 25  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 41  1  0  0  0  0
  8 20  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 17  1  0  0  0  0
 13 36  1  0  0  0  0
 14 18  1  0  0  0  0
 14 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  3  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 19 40  1  0  0  0  0
 20 42  1  0  0  0  0
 21 24  2  0  0  0  0
 21 43  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 30  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25975583

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
724

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHgAYCAAADAThmAYyBoBiBgCIAqFWUAKCCAAkIAIaqIFGDMgNJjaEtR+CeWDn4BEKqYeYyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-[(3-hydroxy-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-phenoxyethoxy)benzohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[(3-hydroxy-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(2-phenoxyethoxy)benzohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-[(3-hydroxy-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-phenoxyethoxy)benzohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-[(3-hydroxy-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-phenoxyethoxy)benzohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[(3-methoxy-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-phenoxyethoxy)benzohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-[(3-hydroxy-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-phenoxyethoxy)benzohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H22N2O6/c1-29-21-14-16(13-19(26)22(21)27)15-24-25-23(28)18-9-5-6-10-20(18)31-12-11-30-17-7-3-2-4-8-17/h2-10,13-15,24,26H,11-12H2,1H3,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
JKSSJNRYMUUIET-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
422.14778643

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
422.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CNNC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)C=C(C1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CNNC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)C=C(C1=O)O

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
422.14778643

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
13  17  8
14  18  8
16  20  1
17  18  8
23  26  8
23  27  8
26  28  8
27  29  8
28  30  8
29  30  8
9  10  8
9  13  8

$$$$