Compound Identification
SMILES
OC(=O)CN(CC1=CC(Br)=CC=C1)C(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=XVJJFSABGWCTBS-UHFFFAOYSA-N
Formula
C16H12BrCl2NO3
Mass
417.08
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 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives Dichlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl bromide - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - 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