Compound Identification
SMILES
BrC1=CC(C=NNC(=O)CNC(=O)C2=CC=CC=C2I)=C(OCC=C)C=C1
InChIKey
InChIKey=HINVKIZFKHFONV-UHFFFAOYSA-N
Formula
C19H17BrIN3O3
Mass
542.171
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 2-halobenzoic acids and derivatives Benzoyl derivatives Phenol ethers Phenoxy compounds Iodobenzenes Bromobenzenes Alkyl aryl ethers Aryl iodides Aryl bromides Vinylogous halides Secondary carboxylic acid amides Organonitrogen compounds Organoiodides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Phenol ether - Phenoxy compound - Bromobenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organoiodide - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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