3-(1,3-benzodioxol-5-ylmethylamino)propanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)propanenitrile Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)propanenitrile CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)propanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)propanenitrile Traditional Name: 3-(piperonylamino)propionitrile Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCC#N

InChI

InChI=1S/C11H12N2O2/c12-4-1-5-13-7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6,13H,1,5,7-8H2