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

Systemtic Name: 1-(dimethylamino)-6-fluoranyl-8-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(dimethylamino)-6-fluoro-8-nitro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(dimethylamino)-6-fluoro-8-nitro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(dimethylamino)-6-fluoro-8-nitro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(dimethylamino)-6-fluoro-4-keto-8-nitro-7-piperazino-quinoline-3-carboxylic acid Formula: C16H18FN5O5 MolecularWeight: 379.343023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N1C=C(C(=O)C2=CC(=C(C(=C21)[N+](=O)[O-])N3CCNCC3)F)C(=O)O

Isomeric SMILES

CN(C)N1C=C(C(=O)C2=CC(=C(C(=C21)[N+](=O)[O-])N3CCNCC3)F)C(=O)O

InChI

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