3-methyl-2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxymethyl]-1H-benzimidazol-3-ium

Systemtic Name: 3-methyl-2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxymethyl]-1H-benzimidazol-3-ium Openeye Name: 3-methyl-2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxymethyl]-1H-benzimidazol-3-ium CAS Name: 3-methyl-2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxymethyl]-1H-benzimidazol-3-ium IUPAC Name: 3-methyl-2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxymethyl]-1H-benzimidazol-3-ium Traditional Name: 3-methyl-2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxymethyl]-1H-benzimidazol-3-ium Formula: C12H13N6O3+ MolecularWeight: 289.27002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])OCC2=[N+](C3=CC=CC=C3N2)C

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])OCC2=[N+](C3=CC=CC=C3N2)C

InChI

InChI=1S/C12H12N6O3/c1-16-9-6-4-3-5-8(9)13-10(16)7-21-12-14-11(18(19)20)15-17(12)2/h3-6H,7H2,1-2H3/p+1