Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=NNC(=O)C(CSCC2=CC=CC=C2)NC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=YVURGHGXKYDICL-UHFFFAOYSA-N
Formula
C24H20N6O8S
Mass
552.52
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 Cysteine and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic 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