2-[(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[(6-azanyl-4H-1,3-benzodioxin-8-yl)methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl-(cyanomethyl)amino]acetonitrile Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN(CC#N)CC#N)N

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN(CC#N)CC#N)N

InChI

InChI=1S/C13H14N4O2/c14-1-3-17(4-2-15)7-10-5-12(16)6-11-8-18-9-19-13(10)11/h5-6H,3-4,7-9,16H2