Compound Identification
SMILES
OC(C#N)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=JWZKLCWLXKKOLL-UHFFFAOYSA-N
Formula
C9H7NO3
Mass
177.159
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
Benzenoids Secondary alcohols Cyanohydrins Alpha-hydroxynitriles Oxacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzenoid - Cyanohydrin - Secondary alcohol - Alpha-hydroxynitrile - Oxacycle - Nitrile - Carbonitrile - Acetal - Hydrocarbon derivative - Organic oxygen compound - Aromatic alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organopnictogen 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