5-methyl-4-nitro-1H-benzimidazol-3-ium

Systemtic Name: 5-methyl-4-nitro-1H-benzimidazol-3-ium Openeye Name: 5-methyl-4-nitro-1H-benzimidazol-3-ium CAS Name: 5-methyl-4-nitro-1H-benzimidazol-3-ium IUPAC Name: 5-methyl-4-nitro-1H-benzimidazol-3-ium Traditional Name: 5-methyl-4-nitro-1H-benzimidazol-3-ium Formula: C8H8N3O2+ MolecularWeight: 178.16802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)NC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O2/c1-5-2-3-6-7(10-4-9-6)8(5)11(12)13/h2-4H,1H3,(H,9,10)/p+1