(2S)-2-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)acetonitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)N[C@H](C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16N2O2/c1-13(2,3)15-10(7-14)9-4-5-11-12(6-9)17-8-16-11/h4-6,10,15H,8H2,1-3H3/t10-/m1/s1