Compound Identification
SMILES
COC1=C(O)C(Br)=C(C=C(NC(=O)C2=CC=CC=C2)C(O)=O)C=C1
InChIKey
InChIKey=TYPNITVHOXISAO-UHFFFAOYSA-N
Formula
C17H14BrNO5
Mass
392.205
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
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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 Cinnamic acids Coumaric acids and derivatives Hydroxycinnamic acids Methoxyphenols Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes O-bromophenols 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Alkyl aryl ethers Aryl bromides Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic 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 - Hydroxycinnamic acid - Hydroxycinnamic acid or derivatives - Alpha-amino acid or derivatives - Methoxyphenol - Anisole - Benzoyl - Phenoxy compound - 2-halophenol - Methoxybenzene - Phenol ether - 2-bromophenol - Phenol - Bromobenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Aryl halide - Aryl bromide - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organic oxide - Aromatic homomonocyclic 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