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

Systemtic Name: N-aminocarbonyl-3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propanenitrilium Openeye Name: N-carbamoyl-3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propanenitrilium CAS Name: N-carbamoyl-3-[2-(1-methyl-4-nitro-2-pyrrolyl)-3H-benzimidazol-5-yl]propanenitrilium IUPAC Name: N-carbamoyl-3-[2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazol-5-yl]propanenitrilium Traditional Name: N-carbamoyl-3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propiononitrilium Formula: C16H15N6O3+ MolecularWeight: 339.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O3/c1-21-9-11(22(24)25)8-14(21)15-19-12-5-4-10(7-13(12)20-15)3-2-6-18-16(17)23/h4-5,7-9H,2-3H2,1H3,(H2-,17,19,20,23)/p+1