propyl 3-cyano-2-oxidanylidene-3-phenyl-propanoate

Systemtic Name: propyl 3-cyano-2-oxidanylidene-3-phenyl-propanoate Openeye Name: propyl 3-cyano-2-oxo-3-phenyl-propanoate CAS Name: 3-cyano-2-oxo-3-phenylpropanoic acid propyl ester IUPAC Name: propyl 3-cyano-2-oxo-3-phenylpropanoate Traditional Name: 3-cyano-2-keto-3-phenyl-propionic acid propyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-2-8-17-13(16)12(15)11(9-14)10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3