2-(3-tert-butyl-4-methoxy-phenyl)ethanenitrile

Systemtic Name: 2-(3-tert-butyl-4-methoxy-phenyl)ethanenitrile Openeye Name: 2-(3-tert-butyl-4-methoxy-phenyl)acetonitrile CAS Name: 2-(3-tert-butyl-4-methoxyphenyl)acetonitrile IUPAC Name: 2-(3-tert-butyl-4-methoxyphenyl)acetonitrile Traditional Name: 2-(3-tert-butyl-4-methoxy-phenyl)acetonitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-13(2,3)11-9-10(7-8-14)5-6-12(11)15-4/h5-6,9H,7H2,1-4H3