Compound Identification
SMILES
CCC1=C(NC(=O)CBr)C2=C(C=CC=C2OCC(O)=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=SRDYWEXFOFGVQQ-UHFFFAOYSA-N
Formula
C21H21BrN2O4
Mass
445.313
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
N-alkylindoles Indoles Phenol ethers N-arylamides Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkyl bromides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - N-alkylindole - Indole - Indole or derivatives - Phenol ether - N-arylamide - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl bromide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic 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