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

Systemtic Name: 2-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C13H9BrN3O5- MolecularWeight: 367.13166

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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

Isomeric SMILES

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

InChI

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