3-[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoic acid

Systemtic Name: 3-[4-(5-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoic acid Openeye Name: 3-[4-(5-chloro-2-hydroxy-phenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoic acid CAS Name: 3-[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoic acid IUPAC Name: 3-[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]propanoic acid Traditional Name: 3-[4-(5-chloro-2-hydroxy-phenyl)-2-keto-6-(trifluoromethyl)-1H-quinolin-3-yl]propionic acid Formula: C19H13ClF3NO4 MolecularWeight: 411.75903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)C(=C(C(=O)N2)CCC(=O)O)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=C(C(=O)N2)CCC(=O)O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C19H13ClF3NO4/c20-10-2-5-15(25)13(8-10)17-11(3-6-16(26)27)18(28)24-14-4-1-9(7-12(14)17)19(21,22)23/h1-2,4-5,7-8,25H,3,6H2,(H,24,28)(H,26,27)