[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 1-ethyl-7-methyl-4-oxidanylidene-4aH-1,8-naphthyridin-1-ium-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 1-ethyl-7-methyl-4-oxidanylidene-4aH-1,8-naphthyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-ethyl-7-methyl-4-oxo-4aH-1,8-naphthyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-7-methyl-4-oxo-4aH-1,8-naphthyridin-1-ium-3-carboxylic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-ethyl-7-methyl-4-oxo-4aH-1,8-naphthyridin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-keto-7-methyl-4aH-1,8-naphthyridin-1-ium-3-carboxylic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H19F3N3O4+ MolecularWeight: 434.38847

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(C=CC(=N2)C)C(=O)C(=C1)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC[N+]1=C2C(C=CC(=N2)C)C(=O)C(=C1)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H18F3N3O4/c1-3-27-10-14(18(29)13-9-8-12(2)25-19(13)27)20(30)31-11-17(28)26-16-7-5-4-6-15(16)21(22,23)24/h4-10,13H,3,11H2,1-2H3/p+1