[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H12ClNO3 MolecularWeight: 313.73508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H12ClNO3/c1-11(16(20)13-5-3-7-15(18)9-13)22-17(21)14-6-2-4-12(8-14)10-19/h2-9,11H,1H3