Compound Identification
SMILES
OC(=O)COC1=CC(O)=C(C=C1)C(=O)C=CC1=CN=CC=C1
InChIKey
InChIKey=PBXOEHNHTOECAM-UHFFFAOYSA-N
Formula
C16H13NO5
Mass
299.282
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
Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyridines and derivatives Vinylogous acids Acryloyl compounds Enones Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous acid - Ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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