Compound Identification
SMILES
OC1=C(CNC2=CC3=C(OCO3)C=C2)C=C(Br)C=C1
InChIKey
InChIKey=BZEJRAMJXJSULD-UHFFFAOYSA-N
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
Phenylmethylamines P-bromophenols Benzylamines Secondary alkylarylamines Bromobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Oxacyclic compounds Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzylamine - 4-halophenol - 4-bromophenol - Phenylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Aryl halide - Oxacycle - Secondary amine - Acetal - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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