4-[(4-carboxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 4-[(4-carboxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Openeye Name: 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride CAS Name: 4-(4-carboxyanilino)-8-(trifluoromethyl)-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Traditional Name: 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Formula: C18H12ClF3N2O4 MolecularWeight: 412.74709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN=C2C(=C1)C(F)(F)F)C(=O)O)NC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

C1=CC2=C(C(=CN=C2C(=C1)C(F)(F)F)C(=O)O)NC3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C18H11F3N2O4.ClH/c19-18(20,21)13-3-1-2-11-14(12(17(26)27)8-22-15(11)13)23-10-6-4-9(5-7-10)16(24)25;/h1-8H,(H,22,23)(H,24,25)(H,26,27);1H