5-[(5-Carboxy-3-Ethoxycarbonyl-4-Methyl-1H-Pyrrol-2-Yl)Methyl]-4-Ethoxycarbonyl-3-Methyl-1H-Pyrrole-2-Carboxylic Acid
[CAS# 6305-92-6]

Identification

• Name: 5-[(5-Carboxy-3-Ethoxycarbonyl-4-Methyl-1H-Pyrrol-2-Yl)Methyl]-4-Ethoxycarbonyl-3-Methyl-1H-Pyrrole-2-Carboxylic Acid
• Synonyms: 4-Carbethoxy-5-[(3-Carbethoxy-5-Carboxy-4-Methyl-1H-Pyrrol-2-Yl)Methyl]-3-Methyl-1H-Pyrrole-2-Carboxylic Acid; Nsc22706
• Molecular Formula: C₁₉H₂₂N₂O₈
• Molecular Weight: 406.39
• CAS Registry Number: 6305-92-6
• SMILES: C(OC(=O)C1=C([NH]C(=C1C)C(O)=O)CC2=C(C(=C(C(=O)O)[NH]2)C)C(OCC)=O)C
• InChI: 1S/C19H22N2O8/c1-5-28-18(26)12-8(3)14(16(22)23)20-10(12)7-11-13(19(27)29-6-2)9(4)15(21-11)17(24)25/h20-21H,5-7H2,1-4H3,(H,22,23)(H,24,25)
• InChIKey: XGDNUJGQQURYIW-UHFFFAOYSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 752.75°C at 760 mmHg (Cal.)
• Flash point: 409.048°C (Cal.)