323282
  -OEChem-04192416052D

 27 28  0     0  0  0  0  0  0999 V2000
    2.8660    4.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    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
    2.0000    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2500    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   -0.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  2  0  0  0  0
  4 16  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
323282

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
398

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHwAQAAAACAzBkAwwyILABACIACVWWAKCCAAhIgAIiIBIZMkKICLAkZWNIAhglgBYyYcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-oxo-1H-pyridin-3-yl) N-(4-fluorophenyl)carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-oxo-1<I>H</I>-pyridin-3-yl) <I>N</I>-(4-fluorophenyl)carbamate

> <PUBCHEM_IUPAC_NAME>
(2-oxo-1H-pyridin-3-yl) N-(4-fluorophenyl)carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-oxidanylidene-1H-pyridin-3-yl) N-(4-fluorophenyl)carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-fluorophenyl)carbamic acid (2-keto-1H-pyridin-3-yl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H9FN2O3/c13-8-3-5-9(6-4-8)15-12(17)18-10-2-1-7-14-11(10)16/h1-7H,(H,14,16)(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
CFKRYYYJFGYXSH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
248.05972032

> <PUBCHEM_MOLECULAR_FORMULA>
C12H9FN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
248.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CNC(=O)C(=C1)OC(=O)NC2=CC=C(C=C2)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CNC(=O)C(=C1)OC(=O)NC2=CC=C(C=C2)F

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
248.05972032

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  14  8
12  17  8
13  15  8
14  15  8
17  18  8
6  11  8
6  18  8
7  10  8
7  9  8
8  11  8
8  12  8
9  13  8

$$$$