ethyl 6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-1-(4-nitrophenyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)-4-oxoquinoline-3-carboxylate Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-(4-nitrophenyl)quinoline-3-carboxylic acid ethyl ester Formula: C23H23FN4O5 MolecularWeight: 454.450923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN4O5/c1-3-33-23(30)18-14-27(15-4-6-16(7-5-15)28(31)32)20-13-21(19(24)12-17(20)22(18)29)26-10-8-25(2)9-11-26/h4-7,12-14H,3,8-11H2,1-2H3