Compound Identification
SMILES
CCOC(=O)CCCC1=CC=C(C=C1)C(=C)NNC(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=PWNCUKDIXPOPGN-UHFFFAOYSA-N
Formula
C21H23BrN2O3
Mass
431.33
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
Styrenes Benzoyl derivatives Fatty acid esters Bromobenzenes Aryl bromides Vinylogous halides Carboxylic acid hydrazides Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - Styrene - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Fatty acyl - Vinylogous halide - Carboxylic acid ester - Carboxylic acid hydrazide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen 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