[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C12H9F3N2O3 MolecularWeight: 286.20667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O3/c13-12(14,15)7-17-10(18)6-20-11(19)9-3-1-2-8(4-9)5-16/h1-4H,6-7H2,(H,17,18)