2-(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)ethanenitrile

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)ethanenitrile Openeye Name: 2-(4-bromo-2-tert-butyl-5-methyl-phenoxy)acetonitrile CAS Name: 2-(4-bromo-2-tert-butyl-5-methylphenoxy)acetonitrile IUPAC Name: 2-(4-bromo-2-tert-butyl-5-methylphenoxy)acetonitrile Traditional Name: 2-(4-bromo-2-tert-butyl-5-methyl-phenoxy)acetonitrile Formula: C13H16BrNO MolecularWeight: 282.17624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)(C)C)OCC#N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)(C)C)OCC#N

InChI

InChI=1S/C13H16BrNO/c1-9-7-12(16-6-5-15)10(8-11(9)14)13(2,3)4/h7-8H,6H2,1-4H3