1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid chloride

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid chloride Openeye Name: 1-cyclopropyl-6-fluoro-8-nitro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid chloride CAS Name: 1-cyclopropyl-6-fluoro-8-nitro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid chloride IUPAC Name: 1-cyclopropyl-6-fluoro-8-nitro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid chloride Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-nitro-7-piperazino-quinoline-3-carboxylic acid chloride Formula: C17H17ClFN4O5- MolecularWeight: 411.792083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)[N+](=O)[O-])N4CCNCC4)F)C(=O)O.[Cl-]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)[N+](=O)[O-])N4CCNCC4)F)C(=O)O.[Cl-]

InChI

InChI=1S/C17H17FN4O5.ClH/c18-12-7-10-13(15(22(26)27)14(12)20-5-3-19-4-6-20)21(9-1-2-9)8-11(16(10)23)17(24)25;/h7-9,19H,1-6H2,(H,24,25);1H/p-1