Compound Identification
SMILES
COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(Br)=C2)C(C)(C)C)=C1C
InChIKey
InChIKey=UAFCOEKNMQYUQM-UHFFFAOYSA-N
Formula
C21H25BrN2O3
Mass
433.346
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
o-Toluamides m-Toluamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Carboxylic acid hydrazides Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Toluamide - M-toluamide - O-toluamide - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Toluene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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