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

Systemtic Name: 2-(5-chloranyl-3-nitro-6-oxidanylidene-1-propyl-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile Openeye Name: 2-(5-chloro-3-nitro-6-oxo-1-propyl-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile CAS Name: 2-(5-chloro-3-nitro-6-oxo-1-propyl-4-pyridazinyl)-2-(1-methyl-2-benzimidazolyl)acetonitrile IUPAC Name: 2-(5-chloro-3-nitro-6-oxo-1-propylpyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Traditional Name: 2-(5-chloro-6-keto-3-nitro-1-propyl-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Formula: C17H15ClN6O3 MolecularWeight: 386.7924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3N2C)Cl

Isomeric SMILES

CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3N2C)Cl

InChI

InChI=1S/C17H15ClN6O3/c1-3-8-23-17(25)14(18)13(16(21-23)24(26)27)10(9-19)15-20-11-6-4-5-7-12(11)22(15)2/h4-7,10H,3,8H2,1-2H3