(2Z)-2-[2-(1,3-Benzodioxol-5-yl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylic acid
[CAS# 904818-57-1]

Identification

• Name: (2Z)-2-[2-(1,3-Benzodioxol-5-yl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylic acid
• Synonyms: (2Z)-2-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid; 2-[2-Benzo[1,3]dioxol-5-yl-2-oxo-eth-(Z)-ylidene]; 2-[2-Benzo[1,3]dioxol-5-yl-2-oxo-eth-(Z)-ylidene]; -3-oxo-1,2,3,4-tetrahydro-quinoxaline-6-carboxylic acid
• Molecular Formula: C₁₈H₁₂N₂O₆
• Molecular Weight: 352.30
• CAS Registry Number: 904818-57-1
• SMILES: c1cc2c(cc1C(=O)O)NC(=O)C(=CC(=O)c3ccc4c(c3)OCO4)N2
• InChI: 1S/C18H12N2O6/c21-14(9-2-4-15-16(6-9)26-8-25-15)7-13-17(22)20-12-5-10(18(23)24)1-3-11(12)19-13/h1-7,19H,8H2,(H,20,22)(H,23,24)/b13-7-
• InChIKey: VMGCEDMZBNMPKB-QPEQYQDCSA-N

Properties

• Density: 1.565g/cm³ (Cal.)
• Boiling point: 642.958°C at 760 mmHg (Cal.)
• Flash point: 342.649°C (Cal.)
• Refractive index: 1.726 (Cal.)