2-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)ethanenitrile

Systemtic Name: 2-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)ethanenitrile Openeye Name: 2-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)acetonitrile CAS Name: 2-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)acetonitrile IUPAC Name: 2-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)acetonitrile Traditional Name: 2-(7-methoxy-2,2-dimethyl-1,3-benzodioxol-4-yl)acetonitrile Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(C=CC(=C2O1)OC)CC#N)C

Isomeric SMILES

CC1(OC2=C(C=CC(=C2O1)OC)CC#N)C

InChI

InChI=1S/C12H13NO3/c1-12(2)15-10-8(6-7-13)4-5-9(14-3)11(10)16-12/h4-5H,6H2,1-3H3