Compound Identification
SMILES
BrC1=CC2=C(OCO2)C=C1C(C#N)N1CCCC1
InChIKey
InChIKey=PKYVWCIKIMSNRN-UHFFFAOYSA-N
Formula
C13H13BrN2O2
Mass
309.163
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 N-alkylpyrrolidines Benzenoids Aryl bromides Trialkylamines Alpha-aminonitriles Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Alpha-aminonitrile - Tertiary amine - Tertiary aliphatic amine - Acetal - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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