Compound Identification
SMILES
CC1(C)CC2=C(O1)C(OCC(=O)OCC1=CC(=O)N3C=C(Br)C=CC3=N1)=CC=C2
InChIKey
InChIKey=CONAMTLFFODHFI-UHFFFAOYSA-N
Formula
C21H19BrN2O5
Mass
459.296
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
Pyridopyrimidines Coumarans Pyrimidones Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organobromides Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Pyridopyrimidine - Coumaran - Alkyl aryl ether - Pyrimidone - Aryl bromide - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen 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