Compound Identification
SMILES
COC1=CC=CC=C1C1=NOC(=N1)C(\Cl)=C\C1=CC(OC)=C(OCC([O-])=O)C=C1
InChIKey
InChIKey=VBMQVVGXCGFYTG-ZROIWOOFSA-M
Formula
C20H16ClN2O6
Mass
415.81
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
Phenyloxadiazoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Vinyl chlorides Azacyclic compounds Oxacyclic compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Phenoxyacetate - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid salt - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Chloroalkene - Haloalkene - Vinyl chloride - Vinyl halide - Organoheterocyclic compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen 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