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

Systemtic Name: 2-[(E)-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-5-nitro-1H-pyrimidin-6-one Formula: C13H11N3O6 MolecularWeight: 305.24294

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O6/c1-22-9-4-2-7(6-8(9)17)3-5-10-14-12(18)11(16(20)21)13(19)15-10/h2-6,17H,1H3,(H2,14,15,18,19)/b5-3+