2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-3H-pyridazin-1-ium-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile

Systemtic Name: 2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-3H-pyridazin-1-ium-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile Openeye Name: 2-(5-chloro-1-ethyl-3-nitro-6-oxo-3H-pyridazin-1-ium-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile CAS Name: 2-(5-chloro-1-ethyl-3-nitro-6-oxo-3H-pyridazin-1-ium-4-yl)-2-(1-methyl-2-benzimidazolyl)acetonitrile IUPAC Name: 2-(5-chloro-1-ethyl-3-nitro-6-oxo-3H-pyridazin-1-ium-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Traditional Name: 2-(5-chloro-1-ethyl-6-keto-3-nitro-3H-pyridazin-1-ium-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Formula: C16H14ClN6O3+ MolecularWeight: 373.77376

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=NC(C(=C(C1=O)Cl)C(C#N)C2=NC3=CC=CC=C3N2C)[N+](=O)[O-]

Isomeric SMILES

CC[N+]1=NC(C(=C(C1=O)Cl)C(C#N)C2=NC3=CC=CC=C3N2C)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN6O3/c1-3-22-16(24)13(17)12(15(20-22)23(25)26)9(8-18)14-19-10-6-4-5-7-11(10)21(14)2/h4-7,9,15H,3H2,1-2H3/q+1