8-(4-methylpiperazin-1-yl)-3,9-dinitro-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Systemtic Name: 8-(4-methylpiperazin-1-yl)-3,9-dinitro-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 8-(4-methylpiperazin-1-yl)-3,9-dinitro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 8-(4-methyl-1-piperazinyl)-3,9-dinitro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 8-(4-methylpiperazin-1-yl)-3,9-dinitro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 8-(4-methylpiperazino)-3,9-dinitro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C14H14N8O5 MolecularWeight: 374.31156

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C=C2)[N+](=NC4=C(C=NN34)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C=C2)[N+](=NC4=C(C=NN34)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N8O5/c1-17-4-6-18(7-5-17)9-2-3-10-12(13(9)22(26)27)19-14(16-20(10)23)11(8-15-19)21(24)25/h2-3,8H,4-7H2,1H3