322051
  -OEChem-05082406052D

 27 28  0     0  0  0  0  0  0999 V2000
    3.7320   -0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  2  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 17  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
322051

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
368

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQAAAACAzBkAQwyILABACIACVWWAKCCAAhIgAIiIBIZMkKICLAkZWNIAhglgBYyYcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-oxo-1H-pyridin-3-yl) N-phenylcarbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-phenylcarbamic acid (2-oxo-1H-pyridin-3-yl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-oxo-1<I>H</I>-pyridin-3-yl) <I>N</I>-phenylcarbamate

> <PUBCHEM_IUPAC_NAME>
(2-oxo-1H-pyridin-3-yl) N-phenylcarbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-oxidanylidene-1H-pyridin-3-yl) N-phenylcarbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-phenylcarbamic acid (2-keto-1H-pyridin-3-yl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10N2O3/c15-11-10(7-4-8-13-11)17-12(16)14-9-5-2-1-3-6-9/h1-8H,(H,13,15)(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
YCCPWEQZQVZXOB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
230.06914219

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
230.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC(=O)OC2=CC=CNC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC(=O)OC2=CC=CNC2=O

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.06914219

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
11  14  8
12  17  8
13  17  8
14  16  8
5  10  8
5  16  8
6  8  8
6  9  8
7  10  8
7  11  8
8  12  8
9  13  8

$$$$