1-ethyl-6-fluoranyl-7-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(4-nitrophenyl)piperazino]quinoline-3-carboxylic acid Formula: C22H21FN4O5 MolecularWeight: 440.424343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

InChI

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