5-[(5-nitro-2-oxidanyl-phenyl)methyl]-6-oxidanyl-1H-pyrimidine-2,4-dione

Systemtic Name: 5-[(5-nitro-2-oxidanyl-phenyl)methyl]-6-oxidanyl-1H-pyrimidine-2,4-dione Openeye Name: 6-hydroxy-5-[(2-hydroxy-5-nitro-phenyl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-hydroxy-5-(2-hydroxy-5-nitro-benzyl)uracil Formula: C11H9N3O6 MolecularWeight: 279.20566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CC2=C(NC(=O)NC2=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CC2=C(NC(=O)NC2=O)O)O

InChI

InChI=1S/C11H9N3O6/c15-8-2-1-6(14(19)20)3-5(8)4-7-9(16)12-11(18)13-10(7)17/h1-3,15H,4H2,(H3,12,13,16,17,18)