3-[(2Z)-2-[(2Z)-2-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]Ethylidene]-1,3-Benzoxazol-3-Yl]Propanoic Acid
[CAS# 72796-92-0]

Identification

• Name: 3-[(2Z)-2-[(2Z)-2-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]Ethylidene]-1,3-Benzoxazol-3-Yl]Propanoic Acid
• Synonyms: 3-[(2Z)-2-[(2Z)-2-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4-Pyrazolylidene]Ethylidene]-1,3-Benzoxazol-3-Yl]Propanoic Acid; 3-[(2Z)-2-[(2Z)-2-[5-Keto-3-Methyl-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]Ethylidene]-1,3-Benzoxazol-3-Yl]Propionic Acid; 2-(2-(3-Methyl-5-Oxo-1-(4-Sulfophenyl)-2-Pyrazolin-4-Ylidene)Ethylidene)-3-Benzoxazolinepropionic Acid
• Molecular Formula: C₂₂H₁₉N₃O₇S
• Molecular Weight: 469.47
• CAS Registry Number: 72796-92-0
• SMILES: C1=CC(=CC=C1[S](=O)(=O)O)N2N=C(C)\C(C2=O)=C\C=C3/OC4=C(N3CCC(=O)O)C=CC=C4
• InChI: 1S/C22H19N3O7S/c1-14-17(22(28)25(23-14)15-6-8-16(9-7-15)33(29,30)31)10-11-20-24(13-12-21(26)27)18-4-2-3-5-19(18)32-20/h2-11H,12-13H2,1H3,(H,26,27)(H,29,30,31)/b17-10-,20-11-
• InChIKey: CHDGOGCTVGHNTQ-HOYZAGQZSA-N

Properties

• Density: 1.497g/cm³ (Cal.)