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

Systemtic Name: 6-[(E)-2-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(3-bromo-5-methoxy-4-propargyloxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C16H11BrN3O6- MolecularWeight: 421.17904

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O6/c1-3-6-26-14-10(17)7-9(8-12(14)25-2)4-5-11-13(20(23)24)15(21)19-16(22)18-11/h1,4-5,7-8H,6H2,2H3,(H2,18,19,21,22)/p-1/b5-4+