Compound Identification
SMILES
COC(=O)CSC1=NC2=C(S1)C=C(NC(=O)C1=CC(=C(NC(C)=O)C=C1)[N+]([O-])=O)C=C2
InChIKey
InChIKey=NQUNXOHKHNZBMW-UHFFFAOYSA-N
Formula
C19H16N4O6S2
Mass
460.48
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
Acetanilides Benzamides Benzothiazoles Nitrobenzenes N-acetylarylamines Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Thiazoles Acetamides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organic oxides Carbonyl compounds Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Acetanilide - Benzamide - 1,3-benzothiazole - Nitrobenzene - N-acetylarylamine - Anilide - Aryl thioether - Nitroaromatic compound - Benzoyl - N-arylamide - Alkylarylthioether - Heteroaromatic compound - Acetamide - Azole - Methyl ester - Thiazole - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Organic salt - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic 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