1-[2,6-bis(chloranyl)phenyl]-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-(2,6-dichlorophenyl)-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-(2,6-dichlorophenyl)-7-(4-methyl-1-piperazin-4-iumyl)-6-nitro-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-(2,6-dichlorophenyl)-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-(2,6-dichlorophenyl)-4-keto-7-(4-methylpiperazin-4-ium-1-yl)-6-nitro-quinoline-3-carboxylate Formula: C21H18Cl2N4O5 MolecularWeight: 477.29742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=C(C=CC=C4Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=C(C=CC=C4Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18Cl2N4O5/c1-24-5-7-25(8-6-24)17-10-16-12(9-18(17)27(31)32)20(28)13(21(29)30)11-26(16)19-14(22)3-2-4-15(19)23/h2-4,9-11H,5-8H2,1H3,(H,29,30)