Compound Identification
SMILES
CC(SC1=C(C#N)C(C2=[N+](C)NOC2=O)=C(C#N)C(N)=N1)C(=O)NC1=CC(C(O)=O)=C(Cl)C=C1
InChIKey
InChIKey=AATQZUWJVACFTP-UHFFFAOYSA-O
Formula
C20H15ClN7O5S
Mass
500.89
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
2-halobenzoic acids Halobenzoic acids Anilides Benzoic acids 3-pyridinecarbonitriles 1-carboxy-2-haloaromatic compounds Benzoyl derivatives N-arylamides Alkylarylthioethers Aminopyridines and derivatives Chlorobenzenes Imidolactams Aryl chlorides 1,2,3-oxadiazoles Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Amino acids Azacyclic compounds Sulfenyl compounds Nitriles Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Primary amines Organic oxides Organochlorides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Anilide - Benzoyl - 1-carboxy-2-haloaromatic compound - Aryl thioether - N-arylamide - 3-pyridinecarbonitrile - Halobenzene - Chlorobenzene - Alkylarylthioether - Aminopyridine - Aryl chloride - Pyridine - Imidolactam - Aryl halide - Oxadiazole - Vinylogous halide - Heteroaromatic compound - Azole - 1,2,3-oxadiazole - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Thioether - Carbonitrile - Nitrile - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Azacycle - Sulfenyl compound - Oxacycle - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Cyanide - 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