(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-butanenitrile

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-butanenitrile Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-butanenitrile CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanenitrile IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanenitrile Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-butyronitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)[C@H](C#N)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H15NO2/c1-9(2)11(8-14)10-3-4-12-13(7-10)16-6-5-15-12/h3-4,7,9,11H,5-6H2,1-2H3/t11-/m0/s1