methyl 3-(3-cyanophenyl)-5-methyl-benzoate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-methyl-benzoate Openeye Name: methyl 3-(3-cyanophenyl)-5-methyl-benzoate CAS Name: 3-(3-cyanophenyl)-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-methylbenzoate Traditional Name: 3-(3-cyanophenyl)-5-methyl-benzoic acid methyl ester Formula: C16H13NO2 MolecularWeight: 251.27992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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