Compound Identification
SMILES
CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)OC2=CC3=C(OCO3)C=C2)=C1Br
InChIKey
InChIKey=JQBUPYPWHBIMNX-UHFFFAOYSA-N
Formula
C16H11BrN2O7S2
Mass
487.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Thiophene carboxylic acids and derivatives Aryl bromides Organosulfonamides Benzenoids Aminosulfonyl compounds Heteroaromatic compounds Isoxazoles Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl halide - Organosulfonic acid amide - Benzenoid - Azole - Isoxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organobromide - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available