7-[(5-bromanylpyridin-2-yl)-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(5-bromanylpyridin-2-yl)-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(5-bromo-2-pyridyl)-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(5-bromo-2-pyridinyl)-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(5-bromopyridin-2-yl)-(trifluoromethylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(5-bromo-2-pyridyl)-triflyl-amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H12BrF4N3O5S MolecularWeight: 550.278293

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(C4=NC=C(C=C4)Br)S(=O)(=O)C(F)(F)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(C4=NC=C(C=C4)Br)S(=O)(=O)C(F)(F)F)F)C(=O)O

InChI

InChI=1S/C19H12BrF4N3O5S/c20-9-1-4-16(25-7-9)27(33(31,32)19(22,23)24)15-6-14-11(5-13(15)21)17(28)12(18(29)30)8-26(14)10-2-3-10/h1,4-8,10H,2-3H2,(H,29,30)