methyl 4-cyano-2-(2-methylphenyl)benzoate

Systemtic Name: methyl 4-cyano-2-(2-methylphenyl)benzoate Openeye Name: methyl 4-cyano-2-(o-tolyl)benzoate CAS Name: 4-cyano-2-(2-methylphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-cyano-2-(2-methylphenyl)benzoate Traditional Name: 4-cyano-2-(o-tolyl)benzoic acid methyl ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C16H13NO2/c1-11-5-3-4-6-13(11)15-9-12(10-17)7-8-14(15)16(18)19-2/h3-9H,1-2H3