[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[2-pyrrolidino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C19H18F3N3O4 MolecularWeight: 409.35913

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C19H18F3N3O4/c20-19(21,22)14-3-4-16(24-7-1-2-8-24)15(11-14)23-17(26)12-29-18(27)13-5-9-25(28)10-6-13/h3-6,9-11H,1-2,7-8,12H2,(H,23,26)