4-[3-(4-Carboxy-2-Hydroxy-1-Phenyl-1H-Pyrrol-3-Yl)Allylidene]-4,5-Dihydro-5-Oxo-1-Phenyl-1H-Pyrazole-3-Carboxylic Acid
[CAS# 29212-95-1]

Identification

• Name: 4-[3-(4-Carboxy-2-Hydroxy-1-Phenyl-1H-Pyrrol-3-Yl)Allylidene]-4,5-Dihydro-5-Oxo-1-Phenyl-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: (4Z)-4-[(E)-3-(3-Carboxy-5-Oxo-1-Phenyl-2H-Pyrazol-4-Yl)Prop-2-Enylidene]-5-Oxo-1-Phenyl-Pyrazole-3-Carboxylic Acid; (4Z)-4-[(E)-3-(3-Carboxy-5-Oxo-1-Phenyl-2H-Pyrazol-4-Yl)Prop-2-Enylidene]-5-Oxo-1-Phenyl-3-Pyrazolecarboxylic Acid; (4Z)-4-[(E)-3-(3-Carboxy-5-Keto-1-Phenyl-2H-Pyrazol-4-Yl)Prop-2-Enylidene]-5-Keto-1-Phenyl-Pyrazole-3-Carboxylic Acid
• Molecular Formula: C₂₃H₁₆N₄O₆
• Molecular Weight: 444.40
• CAS Registry Number: 29212-95-1
• EINECS: 249-512-8
• SMILES: C4=C(N1NC(=C(C1=O)\C=C\C=C2/C(=O)N(N=C2C(O)=O)C3=CC=CC=C3)C(O)=O)C=CC=C4
• InChI: 1S/C23H16N4O6/c28-20-16(18(22(30)31)24-26(20)14-8-3-1-4-9-14)12-7-13-17-19(23(32)33)25-27(21(17)29)15-10-5-2-6-11-15/h1-13,24H,(H,30,31)(H,32,33)/b12-7+,17-13-
• InChIKey: YMBGQBIWBPKQBT-NNLXQCSXSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 557.746°C at 760 mmHg (Cal.)
• Flash point: 291.114°C (Cal.)