[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C18H15NO3 MolecularWeight: 293.3166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO3/c1-12-6-7-13(2)16(8-12)17(20)11-22-18(21)15-5-3-4-14(9-15)10-19/h3-9H,11H2,1-2H3