6-fluoranyl-1-(methylamino)-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(methylamino)-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-8-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(methylamino)-7-(4-methylpiperazino)-8-nitro-quinoline-3-carboxylic acid Formula: C16H18FN5O5 MolecularWeight: 379.343023

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C=C(C(=O)C2=CC(=C(C(=C21)[N+](=O)[O-])N3CCN(CC3)C)F)C(=O)O

Isomeric SMILES

CNN1C=C(C(=O)C2=CC(=C(C(=C21)[N+](=O)[O-])N3CCN(CC3)C)F)C(=O)O

InChI

InChI=1S/C16H18FN5O5/c1-18-21-8-10(16(24)25)15(23)9-7-11(17)13(14(12(9)21)22(26)27)20-5-3-19(2)4-6-20/h7-8,18H,3-6H2,1-2H3,(H,24,25)