(2-methylphenyl)methyl 3-cyanobenzoate

Systemtic Name: (2-methylphenyl)methyl 3-cyanobenzoate Openeye Name: o-tolylmethyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (2-methylbenzyl) ester Formula: C16H13NO2 MolecularWeight: 251.27992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H13NO2/c1-12-5-2-3-7-15(12)11-19-16(18)14-8-4-6-13(9-14)10-17/h2-9H,11H2,1H3