2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)ethanenitrile

Systemtic Name: 2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)ethanenitrile Openeye Name: 2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)acetonitrile CAS Name: 2-(2,6-dimethoxy-5-nitro-4-pyrimidinyl)acetonitrile IUPAC Name: 2-(2,6-dimethoxy-5-nitropyrimidin-4-yl)acetonitrile Traditional Name: 2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)acetonitrile Formula: C8H8N4O4 MolecularWeight: 224.17352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1[N+](=O)[O-])CC#N)OC

Isomeric SMILES

COC1=NC(=NC(=C1[N+](=O)[O-])CC#N)OC

InChI

InChI=1S/C8H8N4O4/c1-15-7-6(12(13)14)5(3-4-9)10-8(11-7)16-2/h3H2,1-2H3