Compound Identification
SMILES
COC1=C(OCC(O)=O)C(Cl)=CC(C=NNC(=O)CC2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=JPGUKPVFCLGUPD-UHFFFAOYSA-N
Formula
C19H17ClN2O7
Mass
420.8
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
Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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