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

Systemtic Name: 2-[(E)-2-[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[3-bromo-4-(3-fluorobenzyl)oxy-5-methoxy-phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C20H15BrFN3O6 MolecularWeight: 492.252003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Br)OCC3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Br)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H15BrFN3O6/c1-30-15-9-11(5-6-16-23-19(26)17(25(28)29)20(27)24-16)8-14(21)18(15)31-10-12-3-2-4-13(22)7-12/h2-9H,10H2,1H3,(H2,23,24,26,27)/b6-5+