4-Benzoyloxy-5-Nitro-4,5-Dihydrothymine
[CAS# 82531-53-1]

Identification

• Name: 4-Benzoyloxy-5-Nitro-4,5-Dihydrothymine
• Synonyms: (5-Methyl-5-Nitro-2,6-Dioxo-Hexahydropyrimidin-4-Yl) Benzoate; Benzoic Acid (5-Methyl-5-Nitro-2,6-Dioxo-4-Hexahydropyrimidinyl) Ester; Benzoic Acid (2,6-Diketo-5-Methyl-5-Nitro-Hexahydropyrimidin-4-Yl) Ester
• Molecular Formula: C₁₂H₁₁N₃O₆
• Molecular Weight: 293.24
• CAS Registry Number: 82531-53-1
• SMILES: C2=C(C(OC1NC(=O)NC(=O)C1([N+]([O-])=O)C)=O)C=CC=C2
• InChI: 1S/C12H11N3O6/c1-12(15(19)20)9(17)13-11(18)14-10(12)21-8(16)7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,13,14,17,18)
• InChIKey: KFYWSDFWOFKPLT-UHFFFAOYSA-N

Properties

• Density: 1.499g/cm³ (Cal.)