2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-3-phenyl-propanenitrile

Systemtic Name: 2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-3-phenyl-propanenitrile Openeye Name: 2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-3-phenyl-propanenitrile CAS Name: 2-(2,6-dimethoxy-5-nitro-4-pyrimidinyl)-3-phenylpropanenitrile IUPAC Name: 2-(2,6-dimethoxy-5-nitropyrimidin-4-yl)-3-phenylpropanenitrile Traditional Name: 2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-3-phenyl-propionitrile Formula: C15H14N4O4 MolecularWeight: 314.29606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1[N+](=O)[O-])C(CC2=CC=CC=C2)C#N)OC

Isomeric SMILES

COC1=NC(=NC(=C1[N+](=O)[O-])C(CC2=CC=CC=C2)C#N)OC

InChI

InChI=1S/C15H14N4O4/c1-22-14-13(19(20)21)12(17-15(18-14)23-2)11(9-16)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3