N-aminocarbonyl-3-[2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazol-5-yl]propanenitrilium

Systemtic Name: N-aminocarbonyl-3-[2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazol-5-yl]propanenitrilium Openeye Name: N-carbamoyl-3-[2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazol-5-yl]propanenitrilium CAS Name: N-carbamoyl-3-[2-(1-methyl-4-nitro-2-imidazolyl)-3H-benzimidazol-5-yl]propanenitrilium IUPAC Name: N-carbamoyl-3-[2-(1-methyl-4-nitroimidazol-2-yl)-3H-benzimidazol-5-yl]propanenitrilium Traditional Name: N-carbamoyl-3-[2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazol-5-yl]propiononitrilium Formula: C15H14N7O3+ MolecularWeight: 340.31676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=NC3=C(N2)C=C(C=C3)CCC#[N+]C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(N=C1C2=NC3=C(N2)C=C(C=C3)CCC#[N+]C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O3/c1-21-8-12(22(24)25)20-14(21)13-18-10-5-4-9(7-11(10)19-13)3-2-6-17-15(16)23/h4-5,7-8H,2-3H2,1H3,(H2-,16,18,19,20,23)/p+1