1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-7-[2,2,2-tris(fluoranyl)ethylamino]quinoline-3-carboxylic acid

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-7-[2,2,2-tris(fluoranyl)ethylamino]quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-oxo-7-(2,2,2-trifluoroethylamino)quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-4-oxo-7-(2,2,2-trifluoroethylamino)-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-4-oxo-7-(2,2,2-trifluoroethylamino)quinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-keto-7-(2,2,2-trifluoroethylamino)quinoline-3-carboxylic acid Formula: C18H10ClF6N3O3 MolecularWeight: 465.733719

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1F)NCC(F)(F)F)Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N

Isomeric SMILES

C1=C2C(=C(C(=C1F)NCC(F)(F)F)Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N

InChI

InChI=1S/C18H10ClF6N3O3/c19-13-14(27-5-18(23,24)25)10(22)1-6-15(13)28(4-7(16(6)29)17(30)31)12-3-11(26)8(20)2-9(12)21/h1-4,27H,5,26H2,(H,30,31)