6-[3,4-bis(oxidanyl)but-1-enyl]-5-nitro-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[3,4-bis(oxidanyl)but-1-enyl]-5-nitro-1H-pyrimidine-2,4-dione Openeye Name: 6-(3,4-dihydroxybut-1-enyl)-5-nitro-1H-pyrimidine-2,4-dione CAS Name: 6-(3,4-dihydroxybut-1-enyl)-5-nitro-1H-pyrimidine-2,4-dione IUPAC Name: 6-(3,4-dihydroxybut-1-enyl)-5-nitro-1H-pyrimidine-2,4-dione Traditional Name: 6-(3,4-dihydroxybut-1-enyl)-5-nitro-uracil Formula: C8H9N3O6 MolecularWeight: 243.17356

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C=CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-])O)O

Isomeric SMILES

C(C(C=CC1=C(C(=O)NC(=O)N1)[N+](=O)[O-])O)O

InChI

InChI=1S/C8H9N3O6/c12-3-4(13)1-2-5-6(11(16)17)7(14)10-8(15)9-5/h1-2,4,12-13H,3H2,(H2,9,10,14,15)