70324488
  -OEChem-05052418002D

 21 21  0     0  0  0  0  0  0999 V2000
    5.4641    1.4400    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
70324488

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
171

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMAIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAUgAAQDAiBGAAywIBQQACBAiRCQwCCAAAgAgAoiAAAdIoIYCKAkZGAIABggIAIyAcQgAAOAAAAQAACACAAAACAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-6-nitro-N-phosphanyl-aniline

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-6-nitro-N-phosphinoaniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-6-nitro-<I>N</I>-phosphanylaniline

> <PUBCHEM_IUPAC_NAME>
2-methyl-6-nitro-N-phosphanylaniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyl-6-nitro-N-phosphanyl-aniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-methyl-6-nitro-phenyl)-phosphino-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H9N2O2P/c1-5-3-2-4-6(9(10)11)7(5)8-12/h2-4,8H,12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
HIOVKMLJABSXFV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
184.04016453

> <PUBCHEM_MOLECULAR_FORMULA>
C7H9N2O2P

> <PUBCHEM_MOLECULAR_WEIGHT>
184.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)[N+](=O)[O-])NP

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)[N+](=O)[O-])NP

> <PUBCHEM_CACTVS_TPSA>
57.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.04016453

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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  12  8
6  7  8
6  8  8
7  9  8
8  10  8
9  12  8

$$$$