2-(5-chloranyl-1-methyl-3-nitro-6-oxidanylidene-3H-pyridazin-1-ium-4-yl)-2-[1-(phenylmethyl)benzimidazol-2-yl]ethanenitrile

Systemtic Name: 2-(5-chloranyl-1-methyl-3-nitro-6-oxidanylidene-3H-pyridazin-1-ium-4-yl)-2-[1-(phenylmethyl)benzimidazol-2-yl]ethanenitrile Openeye Name: 2-(1-benzylbenzimidazol-2-yl)-2-(5-chloro-1-methyl-3-nitro-6-oxo-3H-pyridazin-1-ium-4-yl)acetonitrile CAS Name: 2-(5-chloro-1-methyl-3-nitro-6-oxo-3H-pyridazin-1-ium-4-yl)-2-[1-(phenylmethyl)-2-benzimidazolyl]acetonitrile IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)-2-(5-chloro-1-methyl-3-nitro-6-oxo-3H-pyridazin-1-ium-4-yl)acetonitrile Traditional Name: 2-(1-benzylbenzimidazol-2-yl)-2-(5-chloro-6-keto-1-methyl-3-nitro-3H-pyridazin-1-ium-4-yl)acetonitrile Formula: C21H16ClN6O3+ MolecularWeight: 435.84314

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(C(=C(C1=O)Cl)C(C#N)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=NC(C(=C(C1=O)Cl)C(C#N)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN6O3/c1-26-21(29)18(22)17(20(25-26)28(30)31)14(11-23)19-24-15-9-5-6-10-16(15)27(19)12-13-7-3-2-4-8-13/h2-10,14,20H,12H2,1H3/q+1