312154
  -OEChem-04252422432D

 33 35  0     1  0  0  0  0  0999 V2000
    4.5000   -0.7990    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.3660   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580    0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7641   -0.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7641    0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981   -1.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951    0.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    1.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8509   -1.9537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8509    1.3556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2998   -1.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2998    0.5338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  4 15  2  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 13  2  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
312154

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
477

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAIAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAADBUAAAHgAQgCAADAyBmAAyBsBAARCIQiVSUICCAAAgIgAIiAAGCMgIJiKAERKAMAAk0BEIiUeAwLAOoAABAAAQAABAAAIAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methyl-2-(2-naphthyloxy)-2-oxo-1,3-dihydro-1,3,2lambda5-diazaphosphinin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-methyl-2-(2-naphthalenyloxy)-2-oxo-1,3-dihydro-1,3,2lambda5-diazaphosphorin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methyl-2-naphthalen-2-yloxy-2-oxo-1,3-dihydro-1,3,2&lambda;<SUP>5</SUP>-diazaphosphinin-4-one

> <PUBCHEM_IUPAC_NAME>
6-methyl-2-naphthalen-2-yloxy-2-oxo-1,3-dihydro-1,3,2lambda5-diazaphosphinin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methyl-2-naphthalen-2-yloxy-2-oxidanylidene-1,3-dihydro-1,3,2lambda5-diazaphosphinin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-6-methyl-2-(2-naphthoxy)-1,3-dihydro-1,3,2lambda5-diazaphosphorin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13N2O3P/c1-10-8-14(17)16-20(18,15-10)19-13-7-6-11-4-2-3-5-12(11)9-13/h2-9H,1H3,(H2,15,16,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
PKSVLKGIROYRDK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
288.06637928

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13N2O3P

> <PUBCHEM_MOLECULAR_WEIGHT>
288.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=O)NP(=O)(N1)OC2=CC3=CC=CC=C3C=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=O)NP(=O)(N1)OC2=CC3=CC=CC=C3C=C2

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.06637928

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  2  3
10  14  8
10  17  8
12  14  8
16  19  8
17  20  8
19  20  8
7  11  8
7  12  8
8  10  8
8  11  8
8  16  8

$$$$