[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C16H10ClNO3 MolecularWeight: 299.7085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClNO3/c17-14-3-1-2-13(8-14)15(19)10-21-16(20)12-6-4-11(9-18)5-7-12/h1-8H,10H2