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

Systemtic Name: 2-[[2-ethoxy-4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[2-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-ethoxy-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-ethoxy-4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]phenoxy]methyl]benzonitrile Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H18N4O6/c1-2-31-18-11-14(8-10-19-24-21(27)20(26(29)30)22(28)25-19)7-9-17(18)32-13-16-6-4-3-5-15(16)12-23/h3-11H,2,13H2,1H3,(H2,24,25,27,28)/b10-8+