Compound Identification
SMILES
OC1=C(C=CC(OCC([O-])=O)=C1)C(=O)C=CC1=CN=CC=C1
InChIKey
InChIKey=PBXOEHNHTOECAM-UHFFFAOYSA-M
Formula
C16H12NO5
Mass
298.275
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 Heteroaromatic compounds Enones Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic anions
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 - Carboxylic acid salt - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic anion - 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