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

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C15H11F3N2O4 MolecularWeight: 340.25405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C(F)(F)F

InChI

InChI=1S/C15H11F3N2O4/c16-15(17,18)11-2-1-3-12(8-11)19-13(21)9-24-14(22)10-4-6-20(23)7-5-10/h1-8H,9H2,(H,19,21)