2-(6-chloranylpyridazin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: 2-(6-chloranylpyridazin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: 2-(6-chloropyridazin-3-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: 2-(6-chloro-3-pyridazinyl)-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: 2-(6-chloropyridazin-3-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: 2-(6-chloropyridazin-3-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C15H14ClN3O3 MolecularWeight: 319.74296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C#N)C2=NN=C(C=C2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C#N)C2=NN=C(C=C2)Cl

InChI

InChI=1S/C15H14ClN3O3/c1-20-12-6-9(7-13(21-2)15(12)22-3)10(8-17)11-4-5-14(16)19-18-11/h4-7,10H,1-3H3