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

Systemtic Name: 2-[(E)-2-(5-bromanyl-2-methoxy-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(5-bromo-2-methoxy-phenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(5-bromo-2-methoxy-phenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C13H9BrN3O5- MolecularWeight: 367.13166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O5/c1-22-9-4-3-8(14)6-7(9)2-5-10-15-12(18)11(17(20)21)13(19)16-10/h2-6H,1H3,(H2,15,16,18,19)/p-1/b5-2+