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

Systemtic Name: 2-[2-bromanyl-6-methoxy-4-[(E)-2-(5-nitro-2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]phenoxy]ethanoate Openeye Name: 2-[2-bromo-6-methoxy-4-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)vinyl]phenoxy]acetate CAS Name: 2-[2-bromo-6-methoxy-4-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-6-methoxy-4-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-2-(4-keto-5-nitro-2-oxido-1H-pyrimidin-6-yl)vinyl]-6-methoxy-phenoxy]acetate Formula: C15H10BrN3O8-2 MolecularWeight: 440.1592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O8/c1-26-10-5-7(4-8(16)13(10)27-6-11(20)21)2-3-9-12(19(24)25)14(22)18-15(23)17-9/h2-5H,6H2,1H3,(H,20,21)(H2,17,18,22,23)/p-2/b3-2+