5-[2-chloranyl-5-[(5-methyl-6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[2-chloranyl-5-[(5-methyl-6-oxidanylidene-1H-pyridazin-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile Openeye Name: 5-[2-chloro-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile CAS Name: 5-[2-chloro-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[2-chloro-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzene-1,3-dicarbonitrile Traditional Name: 5-[2-chloro-5-[(6-keto-5-methyl-1H-pyridazin-3-yl)methyl]phenoxy]isophthalonitrile Formula: C20H13ClN4O2 MolecularWeight: 376.79582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC1=O)CC2=CC(=C(C=C2)Cl)OC3=CC(=CC(=C3)C#N)C#N

Isomeric SMILES

CC1=CC(=NNC1=O)CC2=CC(=C(C=C2)Cl)OC3=CC(=CC(=C3)C#N)C#N

InChI

InChI=1S/C20H13ClN4O2/c1-12-4-16(24-25-20(12)26)6-13-2-3-18(21)19(9-13)27-17-7-14(10-22)5-15(8-17)11-23/h2-5,7-9H,6H2,1H3,(H,25,26)