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

Systemtic Name: 2-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethanenitrile Openeye Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(isopropylamino)acetonitrile CAS Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)acetonitrile IUPAC Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)acetonitrile Traditional Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(isopropylamino)acetonitrile Formula: C12H13BrN2O2 MolecularWeight: 297.14782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O2/c1-7(2)15-10(5-14)8-3-9(13)12-11(4-8)16-6-17-12/h3-4,7,10,15H,6H2,1-2H3