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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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