Compound Identification
SMILES
COC(=O)COC1=CC=CC(=C1)C1=C(N=CO1)C(O)=O
InChIKey
InChIKey=JMIQBTWAGJGQAW-UHFFFAOYSA-N
Formula
C13H11NO6
Mass
277.232
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
Phenyl-1,3-oxazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers 4,5-disubstituted oxazoles Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,3-oxazole - Phenoxyacetate - Phenoxy compound - Phenol ether - 4,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Azole - Oxazole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - 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