ethyl 6-fluoranyl-1-(2-fluoranyl-4-nitro-phenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-1-(2-fluoranyl-4-nitro-phenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-1-(2-fluoro-4-nitro-phenyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 6-fluoro-1-(2-fluoro-4-nitro-phenyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C22H20F2N4O5 MolecularWeight: 458.414806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4=C(C=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4=C(C=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H20F2N4O5/c1-2-33-22(30)15-12-27(18-4-3-13(28(31)32)9-16(18)23)19-11-20(26-7-5-25-6-8-26)17(24)10-14(19)21(15)29/h3-4,9-12,25H,2,5-8H2,1H3