Compound Identification
SMILES
COC(=O)C(\NC(=O)C1=CC(Br)=CC=C1)=C\C1=CC=C(OC(C)C)C=C1
InChIKey
InChIKey=QRXZICGMBQVLRZ-WQRHYEAKSA-N
Formula
C20H20BrNO4
Mass
418.287
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 acid esters 3-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Fatty acid esters Bromobenzenes Aryl bromides Methyl esters Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Fatty acid ester - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Fatty acyl - Aryl bromide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen 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