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

Systemtic Name: 2-[(E)-2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[5-bromo-2-(4-fluorobenzyl)oxy-phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C19H13BrFN3O5 MolecularWeight: 462.226023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O)F

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)F

InChI

InChI=1S/C19H13BrFN3O5/c20-13-4-7-15(29-10-11-1-5-14(21)6-2-11)12(9-13)3-8-16-22-18(25)17(24(27)28)19(26)23-16/h1-9H,10H2,(H2,22,23,25,26)/b8-3+