Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NCC1=NN=C(SCC(=O)NC2=C(Cl)C=CC(=C2)C(O)=O)N1C
InChIKey
InChIKey=RAZHKLZTOWXXJB-UHFFFAOYSA-N
Formula
C21H20ClN5O5S
Mass
489.93
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
4-halobenzoic acids Halobenzoic acids Benzamides Benzoic acids Anilides Benzoyl derivatives Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Chlorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzamide - Anilide - Methoxybenzene - Phenol ether - N-arylamide - Anisole - Aryl thioether - Phenoxy compound - Benzoyl - Chlorobenzene - Alkylarylthioether - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Azole - 1,2,4-triazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Ether - Thioether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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