6-fluoranyl-7-(3-methylpiperidin-1-yl)-1-(4-nitrophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(3-methylpiperidin-1-yl)-1-(4-nitrophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(3-methyl-1-piperidyl)-1-(4-nitrophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(3-methyl-1-piperidinyl)-1-(4-nitrophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(3-methylpiperidin-1-yl)-1-(4-nitrophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(3-methylpiperidino)-1-(4-nitrophenyl)quinoline-3-carboxylic acid Formula: C22H20FN3O5 MolecularWeight: 425.409703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H20FN3O5/c1-13-3-2-8-24(11-13)20-10-19-16(9-18(20)23)21(27)17(22(28)29)12-25(19)14-4-6-15(7-5-14)26(30)31/h4-7,9-10,12-13H,2-3,8,11H2,1H3,(H,28,29)