CAS 904818-57-1

2-[2-(1,3-Benzodioxol-5-yl)-2-oxoethylidene]-1,2,3,4-tetrahydro-3-oxo-6-quinoxalinecarboxylic acid

Description:

The chemical substance known as 2-[2-(1,3-Benzodioxol-5-yl)-2-oxoethylidene]-1,2,3,4-tetrahydro-3-oxo-6-quinoxalinecarboxylic acid, with the CAS number 904818-57-1, is a complex organic compound characterized by its unique structural features. It contains a quinoxaline core, which is a bicyclic structure known for its diverse biological activities. The presence of a benzodioxole moiety suggests potential interactions with biological targets, as this group is often associated with various pharmacological properties. The compound also features multiple functional groups, including carbonyl and carboxylic acid groups, which may contribute to its reactivity and solubility in polar solvents. Its tetrahydro structure indicates that it is a saturated derivative, which can influence its stability and interaction with other molecules. Overall, this compound may exhibit interesting biological activities, making it a candidate for further research in medicinal chemistry and drug development. However, specific properties such as solubility, melting point, and biological activity would require empirical investigation.

Formula: C₁₈H₁₂N₂O₆

InChI: 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)

InChI key: InChIKey=VMGCEDMZBNMPKB-UHFFFAOYSA-N

SMILES: C(C(=O)C=1C=C2C(=CC1)OCO2)=C3NC=4C(=CC(C(O)=O)=CC4)NC3=O

Synonyms:

• 6-Quinoxalinecarboxylic acid, 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethylidene]-1,2,3,4-tetrahydro-3-oxo-
• 2-[2-(1,3-Benzodioxol-5-yl)-2-oxoethylidene]-1,2,3,4-tetrahydro-3-oxo-6-quinoxalinecarboxylic acid