[4-(cyanomethyl)phenyl] 3-cyanobenzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-cyanobenzoate Openeye Name: [4-(cyanomethyl)phenyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-(cyanomethyl)phenyl] ester Formula: C16H10N2O2 MolecularWeight: 262.2628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)CC#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)CC#N)C#N

InChI

InChI=1S/C16H10N2O2/c17-9-8-12-4-6-15(7-5-12)20-16(19)14-3-1-2-13(10-14)11-18/h1-7,10H,8H2