[(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C16H13F3N2O4/c1-10(25-15(23)11-5-7-21(24)8-6-11)14(22)20-13-4-2-3-12(9-13)16(17,18)19/h2-10H,1H3,(H,20,22)/t10-/m1/s1