Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C(C1C1=C(OCC(O)=O)C=CC(Br)=C1)C(=O)OC
InChIKey
InChIKey=QDPUGDWKMNKCSA-UHFFFAOYSA-N
Formula
C19H20BrNO7
Mass
454.273
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
Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Dihydropyridines Bromobenzenes Aryl bromides Vinylogous amides Methyl esters Enoate esters Azacyclic compounds Enamines Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Dihydropyridine - Halobenzene - Aryl bromide - Aryl halide - Hydropyridine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Enamine - Ether - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic 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