(2,4,6-trimethylphenyl) 4-cyanobenzoate

Systemtic Name: (2,4,6-trimethylphenyl) 4-cyanobenzoate Openeye Name: (2,4,6-trimethylphenyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid mesityl ester Formula: C17H15NO2 MolecularWeight: 265.3065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2/c1-11-8-12(2)16(13(3)9-11)20-17(19)15-6-4-14(10-18)5-7-15/h4-9H,1-3H3