Compound Identification
SMILES
CC(=O)NC1=CC(C(O)=O)=C(C=C1)N=NC(C(C)=O)C(=O)NC1=C(C)C=C(C=C1)C1=CC(C)=C(NC(=O)C(N=NC2=C(C=C(NC(=O)NC3=CC=C(C=C3)S(O)(=O)=O)C=C2)C(O)=O)C(C)=O)C=C1
InChIKey
InChIKey=NJKVCDXMBWHEDG-UHFFFAOYSA-N
Formula
C45H41N9O13S
Mass
947.93
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
Biphenyls and derivatives Alpha amino acid amides Acetanilides N-phenylureas Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzoic acids Benzenesulfonyl compounds N-acetylarylamines Benzoyl derivatives Toluenes 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Fatty amides Sulfonyls Acetamides Organosulfonic acids Ureas Secondary carboxylic acid amides Azo compounds Ketones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxides Aldehydes Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - Biphenyl - Alpha-amino acid or derivatives - Acetanilide - N-phenylurea - Benzenesulfonate - N-acetylarylamine - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Anilide - Benzoic acid - N-arylamide - Benzoyl - Toluene - 1,3-dicarbonyl compound - Fatty amide - Dicarboxylic acid or derivatives - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetamide - Organosulfonic acid - Sulfonyl - Azo compound - Carboxamide group - Urea - Secondary carboxylic acid amide - Ketone - Carboxylic acid - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aldehyde - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen 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