Compound Identification
SMILES
COC(=O)COC1=C(OC)C=C(C=NNC(=O)CCNC(=O)C2=CC(Cl)=C(Cl)C=C2)C=C1Br
InChIKey
InChIKey=AGPABDLFFCRHII-UHFFFAOYSA-N
Formula
C21H20BrCl2N3O6
Mass
561.21
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
Beta amino acids and derivatives 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Dichlorobenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organobromides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxyacetate - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Methoxybenzene - Benzoyl - 1,2-dichlorobenzene - Phenol ether - Phenoxy compound - Anisole - Alkyl aryl ether - Bromobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Aryl bromide - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organobromide - Organochloride - Organonitrogen compound - Hydrocarbon derivative - 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