1-ethyl-6-fluoranyl-7-[4-(3-methoxycarbonyl-5-nitro-phenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(3-methoxycarbonyl-5-nitro-phenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(3-methoxycarbonyl-5-nitro-benzoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(3-methoxycarbonyl-5-nitrophenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(3-methoxycarbonyl-5-nitrobenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(3-carbomethoxy-5-nitro-benzoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H23FN4O8 MolecularWeight: 526.470523

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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(=CC(=C4)[N+](=O)[O-])C(=O)OC)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN4O8/c1-3-27-13-18(24(33)34)22(31)17-11-19(26)21(12-20(17)27)28-4-6-29(7-5-28)23(32)14-8-15(25(35)38-2)10-16(9-14)30(36)37/h8-13H,3-7H2,1-2H3,(H,33,34)