9583181
  -OEChem-05191317222D

 33 34  0     0  0  0  0  0  0999 V2000
    2.0000   -3.8284    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.2594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.9503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    1.3104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3284    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5416    3.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    1.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    2.7120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403    2.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4783    1.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5242    2.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6486    2.4403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9218    0.2034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6571   -0.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1347    0.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 17  2  0  0  0  0
  5 10  1  0  0  0  0
  5 18  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 14  1  0  0  0  0
  8 21  3  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  CHG  2   1  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
9583181

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
443

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAAMAAAADAjBGgQ/8JMYQACzBjZnZwCyBCMhggA9mCAoZJqIoOLA0dGEpAhgiALIyCcQAAAAAACAAAAAAAAAAQAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-[4-cyano-2-(4-nitrophenyl)pyrazol-3-yl]-N,N-dimethyl-formamidine

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[4-cyano-2-(4-nitrophenyl)-3-pyrazolyl]-N,N-dimethylmethanimidamide

> <PUBCHEM_IUPAC_NAME>
N'-[4-cyano-2-(4-nitrophenyl)pyrazol-3-yl]-N,N-dimethylmethanimidamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[4-cyano-2-(4-nitrophenyl)pyrazol-3-yl]-N,N-dimethyl-methanimidamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-[4-cyano-2-(4-nitrophenyl)pyrazol-3-yl]-N,N-dimethyl-formamidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12N6O2/c1-17(2)9-15-13-10(7-14)8-16-18(13)11-3-5-12(6-4-11)19(20)21/h3-6,8-9H,1-2H3/b15-9+

> <PUBCHEM_IUPAC_INCHIKEY>
GUXFLUFBCYTBPG-OQLLNIDSSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
284.102174

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12N6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
284.27338

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C=NC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)/C=N/C1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C#N

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.102174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  15  8
12  16  8
13  17  8
14  15  8
14  16  8
3  10  8
3  4  8
4  17  8
9  11  8
9  12  8

$$$$