Compound Identification
SMILES
CC(C)(C)OC(=O)N1N=C(C#C)C2=C1C=CC(Br)=C2
InChIKey
InChIKey=XUAIJXWMKKAZLZ-UHFFFAOYSA-N
Formula
C14H13BrN2O2
Mass
321.174
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrazoles
- Subclass Indazoles
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Class
Benzopyrazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Pyrazole carboxylic acids and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Acetylides Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Pyrazole-1-carboxylic acid or derivatives - Aryl bromide - Benzenoid - Aryl halide - Heteroaromatic compound - Pyrazole - Azole - Acetylide - Azacycle - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors
Not available