Compound Identification
SMILES
CN(CC#C)CC1=C(Br)C2=C(OCO2)C=C1
InChIKey
InChIKey=NBBDYOBCSQPKAP-UHFFFAOYSA-N
Formula
C12H12BrNO2
Mass
282.137
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
Aralkylamines Benzenoids Aryl bromides Trialkylamines Oxacyclic compounds Acetylides Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Acetylide - Acetal - Oxacycle - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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