ethyl 6-fluoranyl-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methyl-1-piperazinyl)-8-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-8-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-(4-methylpiperazino)-8-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C23H22F2N4O5 MolecularWeight: 472.441386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22F2N4O5/c1-3-34-23(31)17-13-28(15-6-4-14(24)5-7-15)19-16(22(17)30)12-18(25)20(21(19)29(32)33)27-10-8-26(2)9-11-27/h4-7,12-13H,3,8-11H2,1-2H3