3755262
  CDK     0325211351

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.3644    2.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    1.0026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.8563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    2.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    1.4266    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
    3.0789   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
  3 19  2  0  0  0  0 
  4  9  1  0  0  0  0 
  4 16  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5 15  2  0  0  0  0 
  6 22  3  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
  8 10  2  0  0  0  0 
  8 13  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 12  2  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 16 17  2  3  0  0  0 
 17 19  1  0  0  0  0 
 17 22  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:167788

> <NAME>
Ethyl 2-cyano-3-[(6-methoxy-8-quinolyl)amino]acrylate

> <STAR>
2

> <IUPAC_NAME>
ethyl 2-cyano-3-[(6-methoxyquinolin-8-yl)amino]prop-2-enoate

> <FORMULA>
C16H15N3O3

> <MASS>
297.314

> <MONOISOTOPIC_MASS>
297.11134

> <CHARGE>
0

> <SMILES>
O(C=1C=C2C(N=CC=C2)=C(NC=C(C(OCC)=O)C#N)C1)C

> <INCHI>
InChI=1S/C16H15N3O3/c1-3-22-16(20)12(9-17)10-19-14-8-13(21-2)7-11-5-4-6-18-15(11)14/h4-8,10,19H,3H2,1-2H3

> <INCHIKEY>
SPIFGNJOLVTQLH-UHFFFAOYSA-N

$$$$