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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(3-oxidanylpropylamino)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(3-hydroxypropylamino)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(3-hydroxypropylamino)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(3-hydroxypropylamino)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(3-hydroxypropylamino)acetonitrile Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C#N)NCCCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C#N)NCCCO

InChI

InChI=1S/C12H14N2O3/c13-7-10(14-4-1-5-15)9-2-3-11-12(6-9)17-8-16-11/h2-3,6,10,14-15H,1,4-5,8H2/t10-/m1/s1