5-azanyl-8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-isoindolin-5-yl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-8-(difluoromethoxy)-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-8-(difluoromethoxy)-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-isoindolin-5-yl-4-keto-quinoline-3-carboxylic acid Formula: C22H18F3N3O4 MolecularWeight: 445.39123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)C4=CC5=C(CNC5)C=C4)OC(F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)C4=CC5=C(CNC5)C=C4)OC(F)F)C(=O)O

InChI

InChI=1S/C22H18F3N3O4/c23-16-14(9-1-2-10-6-27-7-11(10)5-9)20(32-22(24)25)18-15(17(16)26)19(29)13(21(30)31)8-28(18)12-3-4-12/h1-2,5,8,12,22,27H,3-4,6-7,26H2,(H,30,31)