2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanenitrile

Systemtic Name: 2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanenitrile Openeye Name: 2-(7-methoxy-2,2-dimethyl-3H-benzofuran-5-yl)acetonitrile CAS Name: 2-(7-methoxy-2,2-dimethyl-3H-benzofuran-5-yl)acetonitrile IUPAC Name: 2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetonitrile Traditional Name: 2-(7-methoxy-2,2-dimethyl-coumaran-5-yl)acetonitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=CC(=C2O1)OC)CC#N)C

Isomeric SMILES

CC1(CC2=CC(=CC(=C2O1)OC)CC#N)C

InChI

InChI=1S/C13H15NO2/c1-13(2)8-10-6-9(4-5-14)7-11(15-3)12(10)16-13/h6-7H,4,8H2,1-3H3