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

Systemtic Name: [2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-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-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-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=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H18F3N3O4/c20-19(21,22)13-6-7-15(24-8-3-4-9-24)14(11-13)23-17(26)12-29-18(27)16-5-1-2-10-25(16)28/h1-2,5-7,10-11H,3-4,8-9,12H2,(H,23,26)