2-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-2-nitro-phenyl)ethanenitrile

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-2-nitro-phenyl)ethanenitrile Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-2-nitro-phenyl)acetonitrile CAS Name: 2-(4,6-dimethoxy-2-pyrimidinyl)-2-(3-ethyl-2-nitrophenyl)acetonitrile IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-2-nitrophenyl)acetonitrile Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)-2-(3-ethyl-2-nitro-phenyl)acetonitrile Formula: C16H16N4O4 MolecularWeight: 328.32264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C#N)C2=NC(=CC(=N2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C#N)C2=NC(=CC(=N2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4/c1-4-10-6-5-7-11(15(10)20(21)22)12(9-17)16-18-13(23-2)8-14(19-16)24-3/h5-8,12H,4H2,1-3H3