ethyl 1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-6-nitro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-6-nitro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4-keto-6-nitro-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C27H24FN5O5 MolecularWeight: 517.508363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN5O5/c1-2-38-27(35)21-17-32(19-8-6-18(28)7-9-19)22-16-23(24(33(36)37)15-20(22)26(21)34)30-11-13-31(14-12-30)25-5-3-4-10-29-25/h3-10,15-17H,2,11-14H2,1H3