(phenylmethyl) 5-cyano-3-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-cyano-3-oxidanylidene-pentanoate Openeye Name: benzyl 5-cyano-3-oxo-pentanoate CAS Name: 5-cyano-3-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-3-oxopentanoate Traditional Name: 5-cyano-3-keto-valeric acid benzyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c14-8-4-7-12(15)9-13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7,9-10H2