Compound Identification
SMILES
CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(=O)NC2=CC=CC(=C2)C(O)=O)C=C1
InChIKey
InChIKey=PPIFDAFFKBJQBY-UHFFFAOYSA-N
Formula
C20H17Cl2NO5
Mass
422.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Butyrophenones Anilides Benzoic acids Aryl ketones Benzoyl derivatives Phenoxy compounds Dichlorobenzenes N-arylamides Phenol ethers Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Vinylogous halides Enones Acryloyl compounds Secondary carboxylic acid amides Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Butyrophenone - Anilide - Benzoic acid - Phenoxy compound - 1,2-dichlorobenzene - Benzoyl - Phenol ether - Aryl ketone - N-arylamide - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Enone - Vinylogous halide - Acryloyl-group - Alpha,beta-unsaturated ketone - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid - Carboxylic acid derivative - Ether - Organochloride - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available