6-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-5-nitro-uracil Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O6/c16-8-4-2-6(5-9(8)17)1-3-7-10(15(20)21)11(18)14-12(19)13-7/h1-5,16-17H,(H2,13,14,18,19)/b3-1+