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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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