(3S)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-oxidanyl-butanenitrile

Systemtic Name: (3S)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-oxidanyl-butanenitrile Openeye Name: (3S)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-butanenitrile CAS Name: (3S)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile IUPAC Name: (3S)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile Traditional Name: (3S)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-butyronitrile Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)CC(CC#N)O)OC)OCO2

Isomeric SMILES

COC1=C2C(=C(C(=C1)C[C@@H](CC#N)O)OC)OCO2

InChI

InChI=1S/C13H15NO5/c1-16-10-6-8(5-9(15)3-4-14)11(17-2)13-12(10)18-7-19-13/h6,9,15H,3,5,7H2,1-2H3/t9-/m1/s1