Compound Identification
SMILES
CCOC(=O)COC1=C(Br)C=C(C=NNC(=O)CC(=O)NC2=CC(Cl)=C(C)C=C2)C=C1
InChIKey
InChIKey=ZXWAXLGFIMQZGC-UHFFFAOYSA-N
Formula
C21H21BrClN3O5
Mass
510.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Anilides Phenoxy compounds Phenol ethers N-arylamides Toluenes Alkyl aryl ethers Chlorobenzenes Bromobenzenes 1,3-dicarbonyl compounds Aryl bromides Aryl chlorides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Anilide - Phenoxy compound - N-arylamide - Phenol ether - Alkyl aryl ether - Toluene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - 1,3-dicarbonyl compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available