2-[3-(1,3-benzodioxol-5-ylmethylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)phenoxy]ethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)phenoxy]acetonitrile CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)phenoxy]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethylamino)phenoxy]acetonitrile Traditional Name: 2-[3-(piperonylamino)phenoxy]acetonitrile Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=CC=C3)OCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=CC=C3)OCC#N

InChI

InChI=1S/C16H14N2O3/c17-6-7-19-14-3-1-2-13(9-14)18-10-12-4-5-15-16(8-12)21-11-20-15/h1-5,8-9,18H,7,10-11H2