3-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]propanenitrile

Systemtic Name: 3-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]propanenitrile Openeye Name: 3-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]propanenitrile CAS Name: 3-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]propanenitrile IUPAC Name: 3-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]propanenitrile Traditional Name: 3-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]propionitrile Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C=CC=C(C2O1)CCC#N)C

Isomeric SMILES

CC1(O[C@H]2C=CC=C([C@H]2O1)CCC#N)C

InChI

InChI=1S/C12H15NO2/c1-12(2)14-10-7-3-5-9(6-4-8-13)11(10)15-12/h3,5,7,10-11H,4,6H2,1-2H3/t10-,11+/m0/s1