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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2/c1-3-15(4-2)11(8-14)10-5-6-12-13(7-10)17-9-16-12/h5-7,11H,3-4,9H2,1-2H3/t11-/m1/s1