2-(2-bromanyl-6-tert-butyl-4-methoxy-phenoxy)ethanenitrile

Systemtic Name: 2-(2-bromanyl-6-tert-butyl-4-methoxy-phenoxy)ethanenitrile Openeye Name: 2-(2-bromo-6-tert-butyl-4-methoxy-phenoxy)acetonitrile CAS Name: 2-(2-bromo-6-tert-butyl-4-methoxyphenoxy)acetonitrile IUPAC Name: 2-(2-bromo-6-tert-butyl-4-methoxyphenoxy)acetonitrile Traditional Name: 2-(2-bromo-6-tert-butyl-4-methoxy-phenoxy)acetonitrile Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCC#N)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCC#N)Br)OC

InChI

InChI=1S/C13H16BrNO2/c1-13(2,3)10-7-9(16-4)8-11(14)12(10)17-6-5-15/h7-8H,6H2,1-4H3