Compound Identification
SMILES
CCOC1=C(OC(C)C(O)=O)C(Br)=CC(C=NN2C(=O)C3C4CC(C=C4)C3C2=O)=C1
InChIKey
InChIKey=WNSQQLHOPUUUEX-UHFFFAOYSA-N
Formula
C21H21BrN2O6
Mass
477.311
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass 2-phenoxypropionic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acids
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acids
Alternative Parents
Phenoxyacetic acid derivatives Isoindolones Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Pyrrolidine-2-ones Aryl bromides Dicarboximides Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenoxypropionic acid - Phenoxyacetate - Isoindolone - Isoindoline - Isoindole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
External Descriptors
Not available