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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O2/c1-2-3-15-10(6-14)8-4-9(13)12-11(5-8)16-7-17-12/h4-5,10,15H,2-3,7H2,1H3