4-(4-methylpiperazin-1-yl)-7-nitro-1H-2,1,3-benzoxadiazol-3-ium 3-oxide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-7-nitro-1H-2,1,3-benzoxadiazol-3-ium 3-oxide Openeye Name: 4-(4-methylpiperazin-1-yl)-7-nitro-1H-2,1,3-benzoxadiazol-3-ium 3-oxide CAS Name: 4-(4-methyl-1-piperazinyl)-7-nitro-1H-2,1,3-benzoxadiazol-3-ium 3-oxide IUPAC Name: 4-(4-methylpiperazin-1-yl)-7-nitro-1H-2,1,3-benzoxadiazol-3-ium 3-oxide Traditional Name: 7-(4-methylpiperazino)-4-nitro-3H-benzofurazan-1-ium 1-oxide Formula: C11H14N5O4+ MolecularWeight: 280.25996

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])NO[N+]3=O

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])NO[N+]3=O

InChI

InChI=1S/C11H14N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3,12H,4-7H2,1H3/q+1