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

Systemtic Name: 2-[(E)-2-[3-bromanyl-5-methoxy-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-[3-bromo-5-methoxy-4-(2-methoxy-2-oxo-ethoxy)phenyl]vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-[3-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-[3-bromo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-[3-bromo-4-(2-keto-2-methoxy-ethoxy)-5-methoxy-phenyl]vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C16H13BrN3O8- MolecularWeight: 455.19372

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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-])Br)OCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O8/c1-26-10-6-8(5-9(17)14(10)28-7-12(21)27-2)3-4-11-18-15(22)13(20(24)25)16(23)19-11/h3-6H,7H2,1-2H3,(H2,18,19,22,23)/p-1/b4-3+