Compound Identification
SMILES
COC(=O)C[C@H]([C@@H](NC(=O)C1=CC=CC=C1NC(C)=O)C(=O)OC)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HIVPKCZFRVGXRQ-FXAWDEMLSA-N
Formula
C22H23N3O8
Mass
457.439
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
Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Acetanilides N-acetylarylamines Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Fatty acid methyl esters Dicarboxylic acids and derivatives Methyl esters Acetamides Vinylogous amides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Acylaminobenzoic acid or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Acetanilide - N-acetylarylamine - Benzamide - Anilide - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-arylamide - Fatty acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Acetamide - Methyl ester - Vinylogous amide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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