2-[2-methoxy-4-[2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile Formula: C15H12N4O6 MolecularWeight: 344.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC#N

InChI

InChI=1S/C15H12N4O6/c1-24-11-8-9(2-4-10(11)25-7-6-16)3-5-12-17-14(20)13(19(22)23)15(21)18-12/h2-5,8H,7H2,1H3,(H2,17,18,20,21)