methyl 2-cyano-5-oxidanylidene-3-phenyl-pentanoate

Systemtic Name: methyl 2-cyano-5-oxidanylidene-3-phenyl-pentanoate Openeye Name: methyl 2-cyano-5-oxo-3-phenyl-pentanoate CAS Name: 2-cyano-5-oxo-3-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-cyano-5-oxo-3-phenylpentanoate Traditional Name: 2-cyano-5-keto-3-phenyl-valeric acid methyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-17-13(16)12(9-14)11(7-8-15)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3