3-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4,5-dichloro-6-oxo-pyridazin-1-yl)methyl]benzonitrile CAS Name: 3-[(4,5-dichloro-6-oxo-1-pyridazinyl)methyl]benzonitrile IUPAC Name: 3-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]benzonitrile Traditional Name: 3-[(4,5-dichloro-6-keto-pyridazin-1-yl)methyl]benzonitrile Formula: C12H7Cl2N3O MolecularWeight: 280.10948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)C(=C(C=N2)Cl)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)C(=C(C=N2)Cl)Cl)C#N

InChI

InChI=1S/C12H7Cl2N3O/c13-10-6-16-17(12(18)11(10)14)7-9-3-1-2-8(4-9)5-15/h1-4,6H,7H2