1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-7-[3-oxidanyl-3-(trifluoromethyl)azetidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-7-[3-oxidanyl-3-(trifluoromethyl)azetidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-hydroxy-3-(trifluoromethyl)-1-azetidinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C18H16F4N2O4 MolecularWeight: 400.324253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CC(C3)(C(F)(F)F)O)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CC(C3)(C(F)(F)F)O)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C18H16F4N2O4/c1-8-13-10(15(25)11(16(26)27)5-24(13)9-2-3-9)4-12(19)14(8)23-6-17(28,7-23)18(20,21)22/h4-5,9,28H,2-3,6-7H2,1H3,(H,26,27)