1-(5-azanyl-2-bromanyl-4-fluoranyl-phenyl)-8-chloranyl-6-fluoranyl-7-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(5-azanyl-2-bromanyl-4-fluoranyl-phenyl)-8-chloranyl-6-fluoranyl-7-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2-bromo-4-fluoro-phenyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2-bromo-4-fluorophenyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2-bromo-4-fluorophenyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2-bromo-4-fluoro-phenyl)-8-chloro-6-fluoro-4-keto-7-(methylamino)quinoline-3-carboxylic acid Formula: C17H11BrClF2N3O3 MolecularWeight: 458.641346

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3Br)F)N)F

Isomeric SMILES

CNC1=C(C=C2C(=C1Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3Br)F)N)F

InChI

InChI=1S/C17H11BrClF2N3O3/c1-23-14-10(21)2-6-15(13(14)19)24(5-7(16(6)25)17(26)27)12-4-11(22)9(20)3-8(12)18/h2-5,23H,22H2,1H3,(H,26,27)