N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-4-[4-[N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-C-oxidanidyl-carbonimidoyl]phenyl]benzenecarboximidate

Systemtic Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-4-[4-[N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-C-oxidanidyl-carbonimidoyl]phenyl]benzenecarboximidate Openeye Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-4-[4-[N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-C-oxido-carbonimidoyl]phenyl]benzenecarboximidate CAS Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-4-[4-[(1-methyl-1,2,4-triazol-4-ium-4-yl)imino-oxidomethyl]phenyl]benzenecarboximidate IUPAC Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-4-[4-[N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-C-oxidocarbonimidoyl]phenyl]benzenecarboximidate Traditional Name: N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-4-[4-[N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-C-oxido-carbonimidoyl]phenyl]benzenecarboximidate Formula: C20H18N8O2 MolecularWeight: 402.40932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C=N1)N=C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N[N+]4=CN(N=C4)C)[O-])[O-]

Isomeric SMILES

CN1C=[N+](C=N1)N=C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N[N+]4=CN(N=C4)C)[O-])[O-]

InChI

InChI=1S/C20H18N8O2/c1-25-13-27(11-21-25)23-19(29)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20(30)24-28-12-22-26(2)14-28/h3-14H,1-2H3