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

Systemtic Name: (2R)-2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2R)-2-(5-chloro-1-ethyl-3-nitro-6-oxo-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile CAS Name: (2R)-2-(5-chloro-1-ethyl-3-nitro-6-oxo-4-pyridazinyl)-2-(1-methyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2R)-2-(5-chloro-1-ethyl-3-nitro-6-oxopyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Traditional Name: (2R)-2-(5-chloro-1-ethyl-6-keto-3-nitro-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Formula: C16H13ClN6O3 MolecularWeight: 372.76582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3N2C)Cl

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])[C@H](C#N)C2=NC3=CC=CC=C3N2C)Cl

InChI

InChI=1S/C16H13ClN6O3/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/h4-7,9H,3H2,1-2H3/t9-/m0/s1