2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OC

InChI

InChI=1S/C14H13N3O6/c1-22-9-5-3-8(7-10(9)23-2)4-6-11-15-13(18)12(17(20)21)14(19)16-11/h3-7H,1-2H3,(H2,15,16,18,19)/b6-4+