Compound Identification
SMILES
COC1=CC=C(\C=C(/NC(=O)C2=CC=C(Br)C=C2)C(=O)NC2=CC=CC=C2)C=C1
InChIKey
InChIKey=JGAIMGYBOKQBHH-QNGOZBTKSA-N
Formula
C23H19BrN2O3
Mass
451.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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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 Cinnamic acid amides 4-halobenzoic acids and derivatives Anilides Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes N-arylamides Bromobenzenes Alkyl aryl ethers Aryl bromides Secondary carboxylic acid amides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Anilide - Methoxybenzene - Phenol ether - N-arylamide - Anisole - Benzoyl - Phenoxy compound - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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