Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)C(\NC(=O)C2=CC=CC=C2Br)=C\C2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ZTVPUNCULPKCKG-HMAPJEAMSA-N
Formula
C24H18BrN3O5
Mass
508.328
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
Alkyl-phenylketones N-acyl-alpha amino acids and derivatives Alpha amino acid amides Cinnamic acid amides 2-halobenzoic acids and derivatives Acetophenones Anilides Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives N-arylamides Nitroaromatic compounds Bromobenzenes Aryl bromides Vinylogous halides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - 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 - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Phenylketone - Anilide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organic zwitterion - 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