[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C16H9F2NO3 MolecularWeight: 301.244366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)F)F)C#N

InChI

InChI=1S/C16H9F2NO3/c17-12-4-5-14(18)13(7-12)15(20)9-22-16(21)11-3-1-2-10(6-11)8-19/h1-7H,9H2