2-cyanoethyl 3-oxidanylidene-4-phenyl-butanoate

Systemtic Name: 2-cyanoethyl 3-oxidanylidene-4-phenyl-butanoate Openeye Name: 2-cyanoethyl 3-oxo-4-phenyl-butanoate CAS Name: 3-oxo-4-phenylbutanoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 3-oxo-4-phenylbutanoate Traditional Name: 3-keto-4-phenyl-butyric acid 2-cyanoethyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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