Compound Identification
SMILES
COC(=O)C(C)OC1=C(OC)C=C(Br)C=C1C=NN1C(=O)C2C3CC(C=C3)C2C1=O
InChIKey
InChIKey=LZYWQBIAQHKTDA-UHFFFAOYSA-N
Formula
C21H21BrN2O6
Mass
477.311
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acid esters
Alternative Parents
Phenoxyacetic acid derivatives Isoindolones Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Pyrrolidine-2-ones Aryl bromides Methyl esters Dicarboximides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenoxypropionic acid ester - Phenoxyacetate - Isoindolone - Isoindole or derivatives - Isoindoline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 2-pyrrolidone - Pyrrolidone - Methyl ester - Dicarboximide - Pyrrolidine - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester.
External Descriptors
Not available