methyl 2-cyano-3-oxidanylidene-4-phenyl-butanoate

Systemtic Name: methyl 2-cyano-3-oxidanylidene-4-phenyl-butanoate Openeye Name: methyl 2-cyano-3-oxo-4-phenyl-butanoate CAS Name: 2-cyano-3-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-oxo-4-phenylbutanoate Traditional Name: 2-cyano-3-keto-4-phenyl-butyric acid methyl ester Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-16-12(15)10(8-13)11(14)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3