[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C10H9F3N2O4 MolecularWeight: 278.18467

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(=O)OCC(=O)NCC(F)(F)F)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C(=O)OCC(=O)NCC(F)(F)F)[O-]

InChI

InChI=1S/C10H9F3N2O4/c11-10(12,13)6-14-8(16)5-19-9(17)7-1-3-15(18)4-2-7/h1-4H,5-6H2,(H,14,16)