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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-nitro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-nitro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-nitro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-nitro-7-piperazino-quinoline-3-carboxylic acid Formula: C17H17FN4O5 MolecularWeight: 376.339083

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O5/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)