Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)NNC2=C3C=C(Br)C=CC3=NC2=O)C=C1
InChIKey
InChIKey=HIAYCQSMFOUHKJ-NDENLUEZSA-N
Formula
C24H16BrN5O5
Mass
534.326
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 Cinnamic acids and derivatives Indoles and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Aryl bromides Secondary carboxylic acid amides Carboxylic acid hydrazides N-acylimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Indole or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl bromide - Aryl halide - Carboxamide group - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - N-acylimine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic 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