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

Systemtic Name: methyl 4-[[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]amino]benzoate Traditional Name: 4-[[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=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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