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

Systemtic Name: 2-[(E)-2-(3-bromanyl-4-phenylmethoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(4-benzyloxy-3-bromo-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3-bromo-4-phenylmethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3-bromo-4-phenylmethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(4-benzoxy-3-bromo-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C19H14BrN3O5 MolecularWeight: 444.23556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)Br

InChI

InChI=1S/C19H14BrN3O5/c20-14-10-12(6-8-15(14)28-11-13-4-2-1-3-5-13)7-9-16-21-18(24)17(23(26)27)19(25)22-16/h1-10H,11H2,(H2,21,22,24,25)/b9-7+