[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13NO3/c1-12-2-6-14(7-3-12)16(19)11-21-17(20)15-8-4-13(10-18)5-9-15/h2-9H,11H2,1H3