2-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanenitrile

Systemtic Name: 2-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanenitrile Openeye Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(methylamino)acetonitrile CAS Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(methylamino)acetonitrile IUPAC Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(methylamino)acetonitrile Traditional Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(methylamino)acetonitrile Formula: C10H9BrN2O2 MolecularWeight: 269.09466

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C#N)C1=CC2=C(C(=C1)Br)OCO2

Isomeric SMILES

CNC(C#N)C1=CC2=C(C(=C1)Br)OCO2

InChI

InChI=1S/C10H9BrN2O2/c1-13-8(4-12)6-2-7(11)10-9(3-6)14-5-15-10/h2-3,8,13H,5H2,1H3