(2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetonitrile Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-13(2,7-16)15-10(6-14)9-3-4-11-12(5-9)18-8-17-11/h3-5,10,15-16H,7-8H2,1-2H3/t10-/m1/s1