methyl 2-[[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-ethyl-4-keto-6-(trifluoromethyl)quinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H17F3N2O4 MolecularWeight: 418.36589

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H17F3N2O4/c1-3-26-11-15(18(27)14-10-12(21(22,23)24)8-9-17(14)26)19(28)25-16-7-5-4-6-13(16)20(29)30-2/h4-11H,3H2,1-2H3,(H,25,28)