Compound Identification
SMILES
[Br-].O=CC1=CC=CC=[N+]1CC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=YXDPBEPAGQMNBJ-UHFFFAOYSA-M
Formula
C14H12BrNO3
Mass
322.158
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
Pyridine carboxaldehydes Aryl-aldehydes Pyridinium derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 2-pyridine carboxaldehyde - Aryl-aldehyde - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Azacycle - Acetal - Oxacycle - Organic bromide salt - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Organic cation - 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