methyl (E)-5-azanyl-4-cyano-5-oxidanylidene-3-phenyl-pent-3-enoate

Systemtic Name: methyl (E)-5-azanyl-4-cyano-5-oxidanylidene-3-phenyl-pent-3-enoate Openeye Name: methyl (E)-5-amino-4-cyano-5-oxo-3-phenyl-pent-3-enoate CAS Name: (E)-5-amino-4-cyano-5-oxo-3-phenyl-3-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-amino-4-cyano-5-oxo-3-phenylpent-3-enoate Traditional Name: (E)-5-amino-4-cyano-5-keto-3-phenyl-pent-3-enoic acid methyl ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C/C(=C(/C#N)\C(=O)N)/C1=CC=CC=C1

InChI

InChI=1S/C13H12N2O3/c1-18-12(16)7-10(11(8-14)13(15)17)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,15,17)/b11-10+