2-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(methoxymethyl)-2-nitro-phenyl]ethanenitrile

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(methoxymethyl)-2-nitro-phenyl]ethanenitrile Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(methoxymethyl)-2-nitro-phenyl]acetonitrile CAS Name: 2-(4,6-dimethoxy-2-pyrimidinyl)-2-[3-(methoxymethyl)-2-nitrophenyl]acetonitrile IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(methoxymethyl)-2-nitrophenyl]acetonitrile Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)-2-[3-(methoxymethyl)-2-nitro-phenyl]acetonitrile Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=CC=C1)C(C#N)C2=NC(=CC(=N2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COCC1=C(C(=CC=C1)C(C#N)C2=NC(=CC(=N2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c1-23-9-10-5-4-6-11(15(10)20(21)22)12(8-17)16-18-13(24-2)7-14(19-16)25-3/h4-7,12H,9H2,1-3H3