37256
  CDK     0416232200

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.7934    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2063    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
    3.0789   -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
    2.3644   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0 
  2  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3 12  3  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  7  9  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:194990

> <NAME>
N1-(4-cyanophenyl)acetamide

> <STAR>
2

> <IUPAC_NAME>
N-(4-cyanophenyl)acetamide

> <FORMULA>
C9H8N2O

> <MASS>
160.176

> <MONOISOTOPIC_MASS>
160.06366

> <CHARGE>
0

> <SMILES>
O=C(NC1=CC=C(C=C1)C#N)C

> <INCHI>
InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)

> <INCHIKEY>
UFKRTEWFEYWIHD-UHFFFAOYSA-N

$$$$