3-Amino-4-Methyl-5-[(3-Nitrobenzoyl)Amino]Benzenesulfonic Acid
[CAS# 5401-86-5]

Identification

• Name: 3-Amino-4-Methyl-5-[(3-Nitrobenzoyl)Amino]Benzenesulfonic Acid
• Synonyms: 3-Amino-4-Methyl-5-[[(3-Nitrophenyl)-Oxomethyl]Amino]Benzenesulfonic Acid; 3-Amino-4-Methyl-5-[(3-Nitrophenyl)Carbonylamino]Benzenesulfonic Acid; Nsc 5000
• Molecular Formula: C₁₄H₁₃N₃O₆S
• Molecular Weight: 351.33
• CAS Registry Number: 5401-86-5
• SMILES: C1=C(C(=C(C=C1[S](=O)(=O)O)NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C)N
• InChI: 1S/C14H13N3O6S/c1-8-12(15)6-11(24(21,22)23)7-13(8)16-14(18)9-3-2-4-10(5-9)17(19)20/h2-7H,15H2,1H3,(H,16,18)(H,21,22,23)
• InChIKey: FSLAZGAGXHMWNE-UHFFFAOYSA-N

Properties

• Density: 1.586g/cm³ (Cal.)