24979502
  -OEChem-04252412232D

 38 40  0     0  0  0  0  0  0999 V2000
    6.3301   -5.7694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7306    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2306    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    4.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    5.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    4.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    4.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    6.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -4.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 18  2  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5 21  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 31  1  0  0  0  0
  8 13  1  0  0  0  0
  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
 10 24  2  0  0  0  0
 11 19  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 34  1  0  0  0  0
 23 26  2  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 27  2  0  0  0  0
 25 37  1  0  0  0  0
 26 27  1  0  0  0  0
 26 38  1  0  0  0  0
M  CHG  2   3  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
24979502

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
566

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7uAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIcAAAADAqBmCQ10IZ6UACrAiVTdwCSBCs1h4I/6AEIdsqIaDLBn5GUIQhogIJIyacciQCeDAAAQAAAACAYAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-(4-chlorobenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[(4-chlorophenyl)-oxomethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-(4-chlorobenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-(4-chlorobenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-(4-chlorophenyl)carbonyl-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-(4-chlorobenzoyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11ClN6O4/c17-12-4-1-10(2-5-12)15(24)20-21-16(25)11-3-6-13(14(7-11)23(26)27)22-9-18-8-19-22/h1-9H,(H,20,24)(H,21,25)

> <PUBCHEM_IUPAC_INCHIKEY>
PNUXCCCHZIBTBL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
386.0530305

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11ClN6O4

> <PUBCHEM_MOLECULAR_WEIGHT>
386.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C(=O)NNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])Cl

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.0530305

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
10  24  8
11  19  8
11  24  8
12  13  8
12  16  8
13  15  8
14  15  8
14  17  8
16  17  8
20  22  8
20  23  8
22  25  8
23  26  8
25  27  8
26  27  8
6  10  8
6  19  8

$$$$