Compound Identification
SMILES
BrC1=CC=C(S1)C=NNC(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=YUWBRTCVTSTWGQ-UHFFFAOYSA-N
Formula
C13H9BrN2O3S
Mass
353.19
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
2,5-disubstituted thiophenes Benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Carboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Benzenoid - Thiophene - Heteroaromatic compound - Acetal - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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