methyl 2-[5-bromanyl-2-methoxy-4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[5-bromanyl-2-methoxy-4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: methyl 2-[5-bromo-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[5-bromo-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[5-bromo-4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-methoxy-phenoxy]acetic acid methyl ester Formula: C16H14BrN3O8 MolecularWeight: 456.20166

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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)Br)OCC(=O)OC

Isomeric SMILES

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

InChI

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