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

Systemtic Name: 2-[(E)-2-(5-bromanyl-3-methoxy-2-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(5-bromo-3-methoxy-2-prop-2-ynoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(5-bromo-3-methoxy-2-propargyloxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C16H12BrN3O6 MolecularWeight: 422.18698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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