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

Systemtic Name: 2-[[2-chloranyl-6-methoxy-4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-chloro-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-6-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-chloro-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-6-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-chloro-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-6-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[2-chloro-4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-6-methoxy-phenoxy]methyl]benzonitrile Formula: C21H15ClN4O6 MolecularWeight: 454.82

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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)Cl)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Cl)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H15ClN4O6/c1-31-16-9-12(6-7-17-24-20(27)18(26(29)30)21(28)25-17)8-15(22)19(16)32-11-14-5-3-2-4-13(14)10-23/h2-9H,11H2,1H3,(H2,24,25,27,28)/b7-6+