3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanenitrile

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanenitrile Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanenitrile CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanenitrile IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanenitrile Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propionitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNCCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNCCC#N

InChI

InChI=1S/C12H14N2O2/c13-4-1-5-14-9-10-2-3-11-12(8-10)16-7-6-15-11/h2-3,8,14H,1,5-7,9H2