Compound Identification
SMILES
CC1=NN=C(SCC(O)=O)N1N=CC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=MTIQXQXGTDHQMM-UHFFFAOYSA-N
Formula
C13H12N4O4S
Mass
320.32
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
Alkylarylthioethers Benzenoids Triazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl thioether - Alkylarylthioether - Benzenoid - Azole - 1,2,4-triazole - Heteroaromatic compound - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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