methyl 4-cyano-2-[(phenylmethylidene)amino]butanoate

Systemtic Name: methyl 4-cyano-2-[(phenylmethylidene)amino]butanoate Openeye Name: methyl 2-(benzylideneamino)-4-cyano-butanoate CAS Name: 4-cyano-2-[(phenylmethylene)amino]butanoic acid methyl ester IUPAC Name: methyl 2-(benzylideneamino)-4-cyanobutanoate Traditional Name: 2-(benzalamino)-4-cyano-butyric acid methyl ester Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC#N)N=CC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCC#N)N=CC1=CC=CC=C1

InChI

InChI=1S/C13H14N2O2/c1-17-13(16)12(8-5-9-14)15-10-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8H2,1H3