Compound Identification
SMILES
COC1=C(OCC(=O)NN=CC2=CC=C(OC(=O)COC3=C(Cl)C=C(Cl)C=C3)C=C2)C=CC(Br)=C1
InChIKey
InChIKey=AVPNOCHAQZCWOT-UHFFFAOYSA-N
Formula
C24H19BrCl2N2O6
Mass
582.23
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
Phenol esters Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenol ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organobromide - Organochloride - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - 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