2-[(E)-2-(4-ethoxy-3-iodanyl-5-methoxy-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-(4-ethoxy-3-iodanyl-5-methoxy-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(4-ethoxy-3-iodo-5-methoxy-phenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(4-ethoxy-3-iodo-5-methoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(4-ethoxy-3-iodo-5-methoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(4-ethoxy-3-iodo-5-methoxy-phenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C15H13IN3O6- MolecularWeight: 458.18469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1I)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C15H14IN3O6/c1-3-25-13-9(16)6-8(7-10(13)24-2)4-5-11-17-14(20)12(19(22)23)15(21)18-11/h4-7H,3H2,1-2H3,(H2,17,18,20,21)/p-1/b5-4+