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

Systemtic Name: 2-[(E)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C15H14BrN3O6 MolecularWeight: 412.19216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OC

InChI

InChI=1S/C15H14BrN3O6/c1-3-25-13-9(16)6-8(7-10(13)24-2)4-5-11-17-14(20)12(19(22)23)15(21)18-11/h4-7H,3H2,1-2H3,(H2,17,18,20,21)/b5-4+