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

Systemtic Name: 2-[[2-methoxy-4-[2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-methoxy-phenoxy]methyl]benzonitrile Formula: C21H16N4O6 MolecularWeight: 420.37494

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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)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H16N4O6/c1-30-17-10-13(7-9-18-23-20(26)19(25(28)29)21(27)24-18)6-8-16(17)31-12-15-5-3-2-4-14(15)11-22/h2-10H,12H2,1H3,(H2,23,24,26,27)