1-[[2-chloranyl-5-(trifluoromethyl)phenyl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-8-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-8-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[2-chloro-5-(trifluoromethyl)benzyl]-8-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H10ClF4NO3 MolecularWeight: 399.723513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H10ClF4NO3/c19-13-5-4-10(18(21,22)23)6-9(13)7-24-8-12(17(26)27)16(25)11-2-1-3-14(20)15(11)24/h1-6,8H,7H2,(H,26,27)