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

Systemtic Name: 2-[(E)-2-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C17H14BrN3O6 MolecularWeight: 436.21356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)Br)OCC#C

InChI

InChI=1S/C17H14BrN3O6/c1-3-7-27-15-11(18)8-10(9-12(15)26-4-2)5-6-13-19-16(22)14(21(24)25)17(23)20-13/h1,5-6,8-9H,4,7H2,2H3,(H2,19,20,22,23)/b6-5+