Compound Identification
SMILES
[O-]C(=O)C(\NC(=O)C1=CC=CC=C1Br)=C\C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=KARCWJIHYZRGEU-QPEQYQDCSA-M
Formula
C17H11BrNO5
Mass
389.182
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
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Coumaric acids and derivatives Cinnamic acids 2-halobenzoic acids and derivatives Benzodioxoles Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous halides Secondary carboxylic acid amides Carboxylic acid salts Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cinnamic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzodioxole - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organobromide - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available