(2S)-2-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(isopropylamino)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(isopropylamino)acetonitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2/c1-8(2)14-10(6-13)9-3-4-11-12(5-9)16-7-15-11/h3-5,8,10,14H,7H2,1-2H3/t10-/m1/s1