Compound Identification
SMILES
CC(C)(C)C1=C(Br)C=C(C=C1)C(=O)NNC(=O)CCC(=O)NC1=CC=CC=C1Cl
InChIKey
InChIKey=YFPPYXLQZIALCJ-UHFFFAOYSA-N
Formula
C21H23BrClN3O3
Mass
480.79
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
3-halobenzoic acids and derivatives
Alternative Parents
Anilides Phenylpropanes Benzoyl derivatives N-arylamides Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Fatty amides Carboxylic acid hydrazides Secondary carboxylic acid amides Carbonyl compounds Organobromides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Anilide - Phenylpropane - Benzoyl - N-arylamide - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Fatty acyl - Fatty amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available