2-cyanoethyl 3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: 2-cyanoethyl 3-oxidanylidene-3-phenyl-propanoate Openeye Name: 2-cyanoethyl 3-oxo-3-phenyl-propanoate CAS Name: 3-oxo-3-phenylpropanoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 3-oxo-3-phenylpropanoate Traditional Name: 3-keto-3-phenyl-propionic acid 2-cyanoethyl ester Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c13-7-4-8-16-12(15)9-11(14)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2