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

Systemtic Name: 2-(5-chloranyl-1-methyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-(5-chloro-1-methyl-3-nitro-6-oxo-pyridazin-4-yl)-2-(2-pyridyl)acetonitrile CAS Name: 2-(5-chloro-1-methyl-3-nitro-6-oxo-4-pyridazinyl)-2-(2-pyridinyl)acetonitrile IUPAC Name: 2-(5-chloro-1-methyl-3-nitro-6-oxopyridazin-4-yl)-2-pyridin-2-ylacetonitrile Traditional Name: 2-(5-chloro-6-keto-1-methyl-3-nitro-pyridazin-4-yl)-2-(2-pyridyl)acetonitrile Formula: C12H8ClN5O3 MolecularWeight: 305.67662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=CC=CC=N2)Cl

Isomeric SMILES

CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=CC=CC=N2)Cl

InChI

InChI=1S/C12H8ClN5O3/c1-17-12(19)10(13)9(11(16-17)18(20)21)7(6-14)8-4-2-3-5-15-8/h2-5,7H,1H3