[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C18H15NO3 MolecularWeight: 293.3166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

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