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

Systemtic Name: (2R)-2-(5-chloranyl-1-methyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2R)-2-(5-chloro-1-methyl-3-nitro-6-oxo-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile CAS Name: (2R)-2-(5-chloro-1-methyl-3-nitro-6-oxo-4-pyridazinyl)-2-(1-methyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2R)-2-(5-chloro-1-methyl-3-nitro-6-oxopyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Traditional Name: (2R)-2-(5-chloro-6-keto-1-methyl-3-nitro-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Formula: C15H11ClN6O3 MolecularWeight: 358.73924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3[N+](=O)[O-])C)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@@H](C#N)C3=C(C(=O)N(N=C3[N+](=O)[O-])C)Cl

InChI

InChI=1S/C15H11ClN6O3/c1-20-10-6-4-3-5-9(10)18-13(20)8(7-17)11-12(16)15(23)21(2)19-14(11)22(24)25/h3-6,8H,1-2H3/t8-/m0/s1