[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C16H10F2N2O3 MolecularWeight: 316.259006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=CC(=CC(=C2)F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C16H10F2N2O3/c17-12-5-11(6-13(18)7-12)16(22)23-9-15(21)20-14-3-1-10(8-19)2-4-14/h1-7H,9H2,(H,20,21)