(2S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-2-methyl-butanenitrile

Systemtic Name: (2S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-2-methyl-butanenitrile Openeye Name: (2S)-2-amino-4-(1,3-benzodioxol-5-yl)-2-methyl-butanenitrile CAS Name: (2S)-2-amino-4-(1,3-benzodioxol-5-yl)-2-methylbutanenitrile IUPAC Name: (2S)-2-amino-4-(1,3-benzodioxol-5-yl)-2-methylbutanenitrile Traditional Name: (2S)-2-amino-4-(1,3-benzodioxol-5-yl)-2-methyl-butyronitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)(C#N)N

Isomeric SMILES

C[C@](CCC1=CC2=C(C=C1)OCO2)(C#N)N

InChI

InChI=1S/C12H14N2O2/c1-12(14,7-13)5-4-9-2-3-10-11(6-9)16-8-15-10/h2-3,6H,4-5,8,14H2,1H3/t12-/m0/s1