3-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanenitrile

Systemtic Name: 3-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanenitrile Openeye Name: 3-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanenitrile CAS Name: 3-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanenitrile IUPAC Name: 3-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanenitrile Traditional Name: 3-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propionitrile Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

CN(CCC#N)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C12H13N3O4/c1-14(4-2-3-13)9-7-11-12(19-6-5-18-11)8-10(9)15(16)17/h7-8H,2,4-6H2,1H3