3-[[[2-(Methylamino)-2-Oxoethyl]Amino]Carbonyl]-5-Nitrobenzoic Acid
[CAS# 49755-98-8]

Identification

• Name: 3-[[[2-(Methylamino)-2-Oxoethyl]Amino]Carbonyl]-5-Nitrobenzoic Acid
• Synonyms: 3-[(2-Methylamino-2-Oxo-Ethyl)Carbamoyl]-5-Nitro-Benzoic Acid; 3-[[(2-Methylamino-2-Oxoethyl)Amino]-Oxomethyl]-5-Nitrobenzoic Acid; 3-[(2-Keto-2-Methylamino-Ethyl)Carbamoyl]-5-Nitro-Benzoic Acid
• Molecular Formula: C₁₁H₁₁N₃O₆
• Molecular Weight: 281.22
• CAS Registry Number: 49755-98-8
• EINECS: 256-473-0
• SMILES: C1=C(C=C(C=C1[N+]([O-])=O)C(=O)O)C(=O)NCC(=O)NC
• InChI: 1S/C11H11N3O6/c1-12-9(15)5-13-10(16)6-2-7(11(17)18)4-8(3-6)14(19)20/h2-4H,5H2,1H3,(H,12,15)(H,13,16)(H,17,18)
• InChIKey: UIOBXDKWRKEHET-UHFFFAOYSA-N

Properties

• Density: 1.456g/cm³ (Cal.)
• Boiling point: 598.246°C at 760 mmHg (Cal.)
• Flash point: 315.608°C (Cal.)