Compound Identification
SMILES
CS(=O)(=O)C1=CC=CC=C1C(=O)N1CCCN1C(=O)CNC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=JHWQHZIQNDKOHY-UHFFFAOYSA-N
Formula
C20H20N4O7S
Mass
460.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Benzenesulfonyl compounds Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Sulfones Pyrazolidines Secondary carboxylic acid amides Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyrazolidine - Sulfone - Sulfonyl - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organic zwitterion - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available