1-(4-fluorophenyl)-7-(4-methyl-3-phenyl-piperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-fluorophenyl)-7-(4-methyl-3-phenyl-piperazin-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-fluorophenyl)-7-(4-methyl-3-phenyl-piperazin-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-fluorophenyl)-7-(4-methyl-3-phenyl-1-piperazinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-fluorophenyl)-7-(4-methyl-3-phenylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-fluorophenyl)-4-keto-7-(4-methyl-3-phenyl-piperazino)-6-nitro-quinoline-3-carboxylic acid Formula: C27H23FN4O5 MolecularWeight: 502.493723

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C27H23FN4O5/c1-29-11-12-30(16-25(29)17-5-3-2-4-6-17)23-14-22-20(13-24(23)32(36)37)26(33)21(27(34)35)15-31(22)19-9-7-18(28)8-10-19/h2-10,13-15,25H,11-12,16H2,1H3,(H,34,35)