68142900
  -OEChem-05142414172D

 37 37  0     1  0  0  0  0  0999 V2000
    4.8059    2.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3302    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    2.8302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040    6.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.8302    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5380    3.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4040    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2130    5.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950    5.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040    6.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    4.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8027    5.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0053    5.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2684    7.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 37  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  6 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 21  2  0  0  0  0
 14 28  1  0  0  0  0
 15 20  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
68142900

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
269

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIECAAADQLBGiQ9kJcMUAChAjBnZQACgC0xF6AJyAAYMoiIaCKBmxGUIAAogAKIiCcQgMAOgAAAAAABAAAAAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(2-chlorophenyl)pent-4-enyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(2-chlorophenyl)pent-4-enyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(2-chlorophenyl)pent-4-enyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME>
1-[2-(2-chlorophenyl)pent-4-enyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(2-chlorophenyl)pent-4-enyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(2-chlorophenyl)pent-4-enyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15ClN2.HNO3/c1-2-5-12(10-17-9-8-16-11-17)13-6-3-4-7-14(13)15;2-1(3)4/h2-4,6-9,11-12H,1,5,10H2;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
GYPYBEDSRVJUJK-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
309.0880191

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
309.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCC(CN1C=CN=C1)C2=CC=CC=C2Cl.[N+](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCC(CN1C=CN=C1)C2=CC=CC=C2Cl.[N+](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
309.0880191

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
11  12  8
11  13  8
12  17  8
13  18  8
15  20  8
17  19  8
18  19  8
5  15  8
5  16  8
6  16  8
6  20  8
8  10  3

$$$$