4183496
  -OEChem-05042415262D

 43 45  0     0  0  0  0  0  0999 V2000
    6.3301    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  2  0  0  0  0
  5 12  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 13  2  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 35  1  0  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 36  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 14 22  2  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  0  0  0  0
 15 23  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  2  0  0  0  0
 20 24  2  0  0  0  0
 20 33  1  0  0  0  0
 21 25  2  0  0  0  0
 21 34  1  0  0  0  0
 22 29  1  0  0  0  0
 23 31  1  0  0  0  0
 24 30  1  0  0  0  0
 25 32  1  0  0  0  0
 26 28  2  0  0  0  0
 26 37  1  0  0  0  0
 27 28  1  0  0  0  0
 27 38  1  0  0  0  0
 28 39  1  0  0  0  0
 29 30  2  0  0  0  0
 29 40  1  0  0  0  0
 30 41  1  0  0  0  0
 31 32  2  0  0  0  0
 31 42  1  0  0  0  0
 32 43  1  0  0  0  0
M  CHG  4   5  -1   7  -1  12   1  13   1
M  END
> <PUBCHEM_COMPOUND_CID>
4183496

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
674

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7uAAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgIUAAAADAqBmiAx8JLYUACpAidydwCCgCklByApmCEwZtqIIPLBn5GEIQholQLIzacciACOAABAQAABAAAAAICAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-[6-[(2-chloro-5-nitro-benzoyl)amino]-2-pyridyl]-5-nitro-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-[6-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-2-pyridinyl]-5-nitrobenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-[6-[(2-chloro-5-nitrobenzoyl)amino]pyridin-2-yl]-5-nitrobenzamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]pyridin-2-yl]-5-nitrobenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-[6-[(2-chloranyl-5-nitro-phenyl)carbonylamino]pyridin-2-yl]-5-nitro-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-[6-[(2-chloro-5-nitro-benzoyl)amino]-2-pyridyl]-5-nitro-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H11Cl2N5O6/c20-14-6-4-10(25(29)30)8-12(14)18(27)23-16-2-1-3-17(22-16)24-19(28)13-9-11(26(31)32)5-7-15(13)21/h1-9H,(H2,22,23,24,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
CQUNMROLUJQCJW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
475.0086385

> <PUBCHEM_MOLECULAR_FORMULA>
C19H11Cl2N5O6

> <PUBCHEM_MOLECULAR_WEIGHT>
476.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=NC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=NC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

> <PUBCHEM_CACTVS_TPSA>
163

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
475.0086385

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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  16  8
11  17  8
14  20  8
14  22  8
15  21  8
15  23  8
16  26  8
17  27  8
20  24  8
21  25  8
22  29  8
23  31  8
24  30  8
25  32  8
26  28  8
27  28  8
29  30  8
31  32  8

$$$$