13504997
  -OEChem-05112414102D

 38 39  0     0  0  0  0  0  0999 V2000
    4.8059    7.1200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.8302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8302    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    4.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    8.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0380    9.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.3302    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6720    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3470    8.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    8.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    9.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9366    8.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1393    8.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4024   10.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 38  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5 18  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 23  2  0  0  0  0
  6 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  2  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
13504997

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
353

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHAIECAAADALBGgQ9kJcMUAChAjBnZQACgC0xEqAJyAAYMoiIaCKBGRCQIAAogAIIiCcAgMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(Z)-2-chloro-2-(4-phenylphenyl)vinyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(Z)-2-chloro-2-(4-phenylphenyl)ethenyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(<I>Z</I>)-2-chloro-2-(4-phenylphenyl)ethenyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME>
1-[(Z)-2-chloro-2-(4-phenylphenyl)ethenyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(Z)-2-chloranyl-2-(4-phenylphenyl)ethenyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(Z)-2-chloro-2-(4-phenylphenyl)vinyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13ClN2.HNO3/c18-17(12-20-11-10-19-13-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14;2-1(3)4/h1-13H;(H,2,3,4)/b17-12-;

> <PUBCHEM_IUPAC_INCHIKEY>
QIOFJSSRCMYAMY-HBPAQXCTSA-N

> <PUBCHEM_EXACT_MASS>
343.0723690

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
343.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=CN3C=CN=C3)Cl.[N+](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=C/N3C=CN=C3)/Cl.[N+](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.0723690

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  14  8
11  13  8
12  14  8
16  19  8
17  20  8
19  21  8
20  21  8
22  24  8
5  22  8
5  23  8
6  23  8
6  24  8
8  11  8
8  12  8
9  16  8
9  17  8

$$$$