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

Systemtic Name: 7-(4-ethylpiperazin-1-yl)-6-fluoranyl-8-nitro-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 7-(4-ethylpiperazin-1-yl)-6-fluoro-8-nitro-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 7-(4-ethyl-1-piperazinyl)-6-fluoro-8-nitro-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 7-(4-ethylpiperazin-1-yl)-6-fluoro-8-nitro-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 7-(4-ethylpiperazino)-6-fluoro-4-keto-8-nitro-1-phenyl-quinoline-3-carboxylic acid Formula: C22H21FN4O5 MolecularWeight: 440.424343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C3C(=C2[N+](=O)[O-])N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2[N+](=O)[O-])N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

InChI

InChI=1S/C22H21FN4O5/c1-2-24-8-10-25(11-9-24)19-17(23)12-15-18(20(19)27(31)32)26(14-6-4-3-5-7-14)13-16(21(15)28)22(29)30/h3-7,12-13H,2,8-11H2,1H3,(H,29,30)