[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-phenylbutanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-phenylbutanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C16H18N2O3/c1-3-13(12-7-5-4-6-8-12)16(20)21-10-15(19)14(9-17)11(2)18/h4-8,13H,3,10,18H2,1-2H3/b14-11+