[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO3/c1-12-6-8-15(9-7-12)17(20)13(2)22-18(21)16-5-3-4-14(10-16)11-19/h3-10,13H,1-2H3