2-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]ethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetonitrile Traditional Name: 2-[4-(piperonylamino)phenyl]acetonitrile Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2/c17-8-7-12-1-4-14(5-2-12)18-10-13-3-6-15-16(9-13)20-11-19-15/h1-6,9,18H,7,10-11H2