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

Systemtic Name: (2R)-2-(5-chloranyl-1-methyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-[1-(phenylmethyl)benzimidazol-2-yl]ethanenitrile Openeye Name: (2R)-2-(1-benzylbenzimidazol-2-yl)-2-(5-chloro-1-methyl-3-nitro-6-oxo-pyridazin-4-yl)acetonitrile CAS Name: (2R)-2-(5-chloro-1-methyl-3-nitro-6-oxo-4-pyridazinyl)-2-[1-(phenylmethyl)-2-benzimidazolyl]acetonitrile IUPAC Name: (2R)-2-(1-benzylbenzimidazol-2-yl)-2-(5-chloro-1-methyl-3-nitro-6-oxopyridazin-4-yl)acetonitrile Traditional Name: (2R)-2-(1-benzylbenzimidazol-2-yl)-2-(5-chloro-6-keto-1-methyl-3-nitro-pyridazin-4-yl)acetonitrile Formula: C21H15ClN6O3 MolecularWeight: 434.8352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])[C@H](C#N)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H15ClN6O3/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/h2-10,14H,12H2,1H3/t14-/m0/s1