6-fluoranyl-1-(1-methyl-4-nitro-pyrrol-2-yl)-7-(3-methylpiperidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(1-methyl-4-nitro-pyrrol-2-yl)-7-(3-methylpiperidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(1-methyl-4-nitro-pyrrol-2-yl)-7-(3-methyl-1-piperidyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(1-methyl-4-nitro-2-pyrrolyl)-7-(3-methyl-1-piperidinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(1-methyl-4-nitropyrrol-2-yl)-7-(3-methylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(1-methyl-4-nitro-pyrrol-2-yl)-7-(3-methylpiperidino)quinoline-3-carboxylic acid Formula: C21H21FN4O5 MolecularWeight: 428.413643

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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(=CN4C)[N+](=O)[O-])F

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC(=CN4C)[N+](=O)[O-])F

InChI

InChI=1S/C21H21FN4O5/c1-12-4-3-5-24(9-12)18-8-17-14(7-16(18)22)20(27)15(21(28)29)11-25(17)19-6-13(26(30)31)10-23(19)2/h6-8,10-12H,3-5,9H2,1-2H3,(H,28,29)