[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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