[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-cyanobenzoate Traditional Name: 4-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=C1C#N)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC(=O)NCC(F)(F)F

InChI

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