514828
  CDK     0416232200

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7935   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  5  2  0  0  0  0 
  2 14  1  0  0  0  0 
  3 15  3  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  8 12  2  0  0  0  0 
  9 11  2  0  0  0  0 
 10 11  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:195094

> <NAME>
6-Phenoxynicotinonitrile

> <STAR>
2

> <IUPAC_NAME>
6-phenoxypyridine-3-carbonitrile

> <FORMULA>
C12H8N2O

> <MASS>
196.209

> <MONOISOTOPIC_MASS>
196.06366

> <CHARGE>
0

> <SMILES>
O(C1=CC=CC=C1)C2=NC=C(C=C2)C#N

> <INCHI>
InChI=1S/C12H8N2O/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h1-7,9H

> <INCHIKEY>
FBFTWRLLJHLPNJ-UHFFFAOYSA-N

$$$$