3-azanyl-6-fluoranyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-6-fluoranyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 3-amino-6-fluoro-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 3-amino-6-fluoro-2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 3-amino-6-fluoro-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 3-amino-6-fluoro-2-[4-(trifluoromethyl)phenyl]cinchoninic acid Formula: C17H10F4N2O2 MolecularWeight: 350.267113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)F)C(=O)O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)F)C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C17H10F4N2O2/c18-10-5-6-12-11(7-10)13(16(24)25)14(22)15(23-12)8-1-3-9(4-2-8)17(19,20)21/h1-7H,22H2,(H,24,25)