7-(1-azanylcyclopropyl)-6-fluoranyl-1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-quinoline-3-carboxylic acid hydrate hydrobromide

Systemtic Name: 7-(1-azanylcyclopropyl)-6-fluoranyl-1-(2-methyl-4-oxidanyl-phenyl)-4-oxidanylidene-quinoline-3-carboxylic acid hydrate hydrobromide Openeye Name: 7-(1-aminocyclopropyl)-6-fluoro-1-(4-hydroxy-2-methyl-phenyl)-4-oxo-quinoline-3-carboxylic acid hydrate hydrobromide CAS Name: 7-(1-aminocyclopropyl)-6-fluoro-1-(4-hydroxy-2-methylphenyl)-4-oxo-3-quinolinecarboxylic acid hydrate hydrobromide IUPAC Name: 7-(1-aminocyclopropyl)-6-fluoro-1-(4-hydroxy-2-methylphenyl)-4-oxoquinoline-3-carboxylic acid hydrate hydrobromide Traditional Name: 7-(1-aminocyclopropyl)-6-fluoro-1-(4-hydroxy-2-methyl-phenyl)-4-keto-quinoline-3-carboxylic acid hydrate hydrobromide Formula: C20H20BrFN2O5 MolecularWeight: 467.285603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C3=CC(=C(C=C32)C4(CC4)N)F)C(=O)O.O.Br

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C=C(C(=O)C3=CC(=C(C=C32)C4(CC4)N)F)C(=O)O.O.Br

InChI

InChI=1S/C20H17FN2O4.BrH.H2O/c1-10-6-11(24)2-3-16(10)23-9-13(19(26)27)18(25)12-7-15(21)14(8-17(12)23)20(22)4-5-20;;/h2-3,6-9,24H,4-5,22H2,1H3,(H,26,27);1H;1H2