45281157
  -OEChem-04262404282D

 41 42  0     0  0  0  0  0  0999 V2000
    5.4208    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6887    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5547    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    4.3134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    7.0796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150    8.0302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    9.1869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4614    7.4921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5547    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    5.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    5.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    5.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    6.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935    8.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0827    9.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7506    8.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3934   10.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7291    8.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719   10.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0397    9.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.7382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188    5.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118    7.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184    6.6182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4010    8.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5579    8.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9793   10.8051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1431    8.3936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5645   11.1392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6464    9.9334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    6.9028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0681    7.6199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9577    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 41  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 32  1  0  0  0  0
  6 19  1  0  0  0  0
  6 33  1  0  0  0  0
  7 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 15  2  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  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 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  CHG  2   2  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
45281157

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
459

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAEABQAAAHAAcCAAADAjBGAQxwIJiQAChAjRnZQCCAAEgAgIMqIAgZJgIICKAkZGAIABwgAAIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[[(Z)-indol-3-ylidenemethyl]amino]-2-phenyl-guanidine;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[(Z)-3-indolylidenemethyl]amino]-2-phenylguanidine;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[[(<I>Z</I>)-indol-3-ylidenemethyl]amino]-2-phenylguanidine;nitric acid

> <PUBCHEM_IUPAC_NAME>
1-[[(Z)-indol-3-ylidenemethyl]amino]-2-phenylguanidine;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[[(Z)-indol-3-ylidenemethyl]amino]-2-phenyl-guanidine;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[[(Z)-indol-3-ylidenemethyl]amino]-2-phenyl-guanidine;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15N5.HNO3/c17-16(20-13-6-2-1-3-7-13)21-19-11-12-10-18-15-9-5-4-8-14(12)15;2-1(3)4/h1-11,19H,(H3,17,20,21);(H,2,3,4)/b12-11+;

> <PUBCHEM_IUPAC_INCHIKEY>
BZBKPZHMBPZZGR-CALJPSDSSA-N

> <PUBCHEM_EXACT_MASS>
340.12838839

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16N6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
340.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N=C(N)NNC=C2C=NC3=CC=CC=C32.[N+](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N=C(N)NN/C=C/2\C=NC3=CC=CC=C32.[N+](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
141

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.12838839

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  12  8
10  13  8
12  15  8
13  17  8
15  18  8
17  18  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8

$$$$