1-cyanoethyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: 1-cyanoethyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: 1-cyanoethyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid 1-cyanoethyl ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C#N

InChI

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