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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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