Compound Identification
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N=NC1=CC=C(NOC(=O)C2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=KLDMOYWTPQSJNC-UHFFFAOYSA-N
Formula
C28H30BrN3O4
Mass
552.469
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Phenylpropanes Benzoyl derivatives Phenols Bromobenzenes Aryl bromides Vinylogous halides Azo compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Phenylpropane - Benzoyl - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Vinylogous halide - Azo compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available