2-[3-(1,3-benzodioxol-4-ylmethylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[3-(1,3-benzodioxol-4-ylmethylamino)phenoxy]ethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-4-ylmethylamino)phenoxy]acetonitrile CAS Name: 2-[3-(1,3-benzodioxol-4-ylmethylamino)phenoxy]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-4-ylmethylamino)phenoxy]acetonitrile Traditional Name: 2-[3-(1,3-benzodioxol-4-ylmethylamino)phenoxy]acetonitrile Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNC3=CC(=CC=C3)OCC#N

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNC3=CC(=CC=C3)OCC#N

InChI

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