2-(4-chlorophenyl)-8-methyl-3-oxidanyl-6-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-8-methyl-3-oxidanyl-6-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-8-methyl-6-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-hydroxy-8-methyl-6-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-8-methyl-6-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-8-methyl-6-(trifluoromethoxy)cinchoninic acid Formula: C18H11ClF3NO4 MolecularWeight: 397.73245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OC(F)(F)F)C(=C(C(=N2)C3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1)OC(F)(F)F)C(=C(C(=N2)C3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C18H11ClF3NO4/c1-8-6-11(27-18(20,21)22)7-12-13(17(25)26)16(24)15(23-14(8)12)9-2-4-10(19)5-3-9/h2-7,24H,1H3,(H,25,26)