3-(1-Formyl-2-Oxoethyl)-4-Nitro-Benzoic Acid Hydrate (1:1)
[CAS# 205680-84-8]

Identification

• Name: 3-(1-Formyl-2-Oxoethyl)-4-Nitro-Benzoic Acid Hydrate (1:1)
• Synonyms: (Z)-2-(5-Carboxy-2-Nitro-Phenyl)-3-Oxo-Prop-1-En-1-Olate; (Z)-2-(5-Carboxy-2-Nitro-Phenyl)-3-Keto-Prop-1-En-1-Olate; Zinc00153806
• Molecular Formula: C₁₀H₆NO₆
• Molecular Weight: 236.16
• CAS Registry Number: 205680-84-8
• SMILES: [C-](C1=C([N+]([O-])=O)C=CC(=C1)C(O)=O)(C=O)C=O
• InChI: 1S/C10H6NO6/c12-4-7(5-13)8-3-6(10(14)15)1-2-9(8)11(16)17/h1-5H,(H,14,15)/q-1
• InChIKey: PKHCSVWCQLTMKN-UHFFFAOYSA-N