3090406
  -OEChem-05231309452D

 44 46  0     0  0  0  0  0  0999 V2000
    5.4641   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    6.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 36  1  0  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 37  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  2  0  0  0  0
 15 33  1  0  0  0  0
 16 23  2  0  0  0  0
 16 25  1  0  0  0  0
 17 24  2  0  0  0  0
 17 26  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 38  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 25 39  1  0  0  0  0
 26 32  2  0  0  0  0
 26 40  1  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 44  1  0  0  0  0
M  CHG  4   5  -1   6  -1  11   1  12   1
M  END
> <PUBCHEM_COMPOUND_CID>
3090406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
672

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7uAAGAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgIUAAAADAqBmCAwwILQQACJAiVSUwCCAAAlBwAoiAEAZsoIIDLBl5HEIQhglADIyYcYi0COAACCAAIAABAAAQQABAAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N1,N3-bis(2-chloro-4-nitro-phenyl)benzene-1,3-dicarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N1,N3-bis(2-chloro-4-nitrophenyl)benzene-1,3-dicarboxamide

> <PUBCHEM_IUPAC_NAME>
1-N,3-N-bis(2-chloro-4-nitrophenyl)benzene-1,3-dicarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N1,N3-bis(2-chloranyl-4-nitro-phenyl)benzene-1,3-dicarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N'-bis(2-chloro-4-nitro-phenyl)isophthalamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H12Cl2N4O6/c21-15-9-13(25(29)30)4-6-17(15)23-19(27)11-2-1-3-12(8-11)20(28)24-18-7-5-14(26(31)32)10-16(18)22/h1-10H,(H,23,27)(H,24,28)

> <PUBCHEM_IUPAC_INCHIKEY>
GJHYIYBSYCTCIG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
474.013389

> <PUBCHEM_MOLECULAR_FORMULA>
C20H12Cl2N4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
475.23848

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

> <PUBCHEM_CACTVS_TPSA>
150

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
474.013389

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
13  20  8
14  15  8
14  21  8
16  23  8
16  25  8
17  24  8
17  26  8
20  22  8
21  22  8
23  29  8
24  30  8
25  31  8
26  32  8
27  29  8
27  31  8
28  30  8
28  32  8

$$$$