Compound Identification
SMILES
CC1=C(CC2=CC=CC=C2Cl)C(=O)N=C(N1)SCC(=O)NC1=CC(=CC(=C1)C([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=JBHSQJWDXDKGNN-UHFFFAOYSA-M
Formula
C21H16ClN4O6S
Mass
487.89
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
Nitrobenzoic acids and derivatives Anilides Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-arylamides Alkylarylthioethers Pyrimidones Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Organic oxides Organic salts Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Nitrobenzoate - Benzoic acid - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Thioether - Organic oxoazanium - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic 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