Compound Identification
SMILES
CCOC(=O)C(OC)(OC1=CC2=NC=NC=C2C=C1)N1CCC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=IYHQFCLAPOVQCJ-UHFFFAOYSA-N
Formula
C21H20ClN3O4
Mass
413.86
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
Quinazolines Alpha amino acids and derivatives Indoles and derivatives Phenol ethers Dialkylarylamines Pyrimidines and pyrimidine derivatives Aryl chlorides Carboxylic acid amide acetals Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Alpha-amino acid or derivatives - Quinazoline - Indole or derivatives - Dialkylarylamine - Phenol ether - Aryl chloride - Aryl halide - Amide acetal - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Orthocarboxylic acid derivative - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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