[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(2,5-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)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

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