Compound Identification
SMILES
COC(=O)COC1=C(Br)C=C(C=NNC(=O)CCC(=O)NC2=CC=C(OC)C=C2)C=C1
InChIKey
InChIKey=BSKQHUSLXSUXBV-UHFFFAOYSA-N
Formula
C21H22BrN3O6
Mass
492.326
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 Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Bromobenzenes Fatty amides Aryl bromides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Methoxyaniline - Anilide - Phenol ether - Phenoxy compound - Anisole - N-arylamide - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Fatty amide - Aryl halide - Fatty acyl - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organobromide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen 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