6-[(E)-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(E)-2-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]vinyl]-5-nitro-1H-pyrimidin-2-olate Formula: C17H18N6O6 MolecularWeight: 402.36142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O6/c1-20-6-8-21(9-7-20)13-5-3-11(10-14(13)22(26)27)2-4-12-15(23(28)29)16(24)19-17(25)18-12/h2-5,10H,6-9H2,1H3,(H2,18,19,24,25)/b4-2+