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

Systemtic Name: 2-[(E)-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C13H10N3O6- MolecularWeight: 304.235

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O6/c1-22-9-4-2-7(6-8(9)17)3-5-10-14-12(18)11(16(20)21)13(19)15-10/h2-6,17H,1H3,(H2,14,15,18,19)/p-1/b5-3+