6-fluoranyl-1-(2-fluoranyl-4-nitro-phenyl)-4-oxidanylidene-7-piperidin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-fluoranyl-4-nitro-phenyl)-4-oxidanylidene-7-piperidin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoro-4-nitro-phenyl)-4-oxo-7-(1-piperidyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-(1-piperidinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoro-4-nitro-phenyl)-4-keto-7-piperidino-quinoline-3-carboxylic acid Formula: C21H17F2N3O5 MolecularWeight: 429.373586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)[N+](=O)[O-])F)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)[N+](=O)[O-])F)F

InChI

InChI=1S/C21H17F2N3O5/c22-15-8-12(26(30)31)4-5-17(15)25-11-14(21(28)29)20(27)13-9-16(23)19(10-18(13)25)24-6-2-1-3-7-24/h4-5,8-11H,1-3,6-7H2,(H,28,29)