[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C19H17NO3 MolecularWeight: 307.34318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO3/c1-12-8-13(2)18(14(3)9-12)17(21)11-23-19(22)16-6-4-15(10-20)5-7-16/h4-9H,11H2,1-3H3