4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 4-(5-chloro-2-hydroxy-anilino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(5-chloro-2-hydroxyanilino)-8-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 4-(5-chloro-2-hydroxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(5-chloro-2-hydroxy-anilino)-8-(trifluoromethyl)quinoline-3-carboxylate Formula: C17H9ClF3N2O3- MolecularWeight: 381.71317

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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=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1=CC2=C(C(=CN=C2C(=C1)C(F)(F)F)C(=O)[O-])NC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C17H10ClF3N2O3/c18-8-4-5-13(24)12(6-8)23-14-9-2-1-3-11(17(19,20)21)15(9)22-7-10(14)16(25)26/h1-7,24H,(H,22,23)(H,25,26)/p-1