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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(4-nitrobenzoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-nitrobenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(4-nitrobenzoyl)piperazino]quinoline-3-carboxylic acid Formula: C23H21FN4O6 MolecularWeight: 468.434443

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21FN4O6/c1-2-25-13-17(23(31)32)21(29)16-11-18(24)20(12-19(16)25)26-7-9-27(10-8-26)22(30)14-3-5-15(6-4-14)28(33)34/h3-6,11-13H,2,7-10H2,1H3,(H,31,32)