6-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C14H11BrN3O6- MolecularWeight: 397.15764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrN3O6/c1-23-10-5-7(8(15)6-11(10)24-2)3-4-9-12(18(21)22)13(19)17-14(20)16-9/h3-6H,1-2H3,(H2,16,17,19,20)/p-1/b4-3+