2-[(E)-2-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(4-benzyloxy-3-iodo-5-methoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(4-benzoxy-3-iodo-5-methoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C20H16IN3O6 MolecularWeight: 521.26201

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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)I)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)I)OCC3=CC=CC=C3

InChI

InChI=1S/C20H16IN3O6/c1-29-15-10-13(7-8-16-22-19(25)17(24(27)28)20(26)23-16)9-14(21)18(15)30-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,22,23,25,26)/b8-7+