Compound Identification
SMILES
CC1=CC=CC=C1\C(Br)=C(/NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCCCC1
InChIKey
InChIKey=KGFOJNOJYVTDGC-FMQUCBEESA-N
Formula
C22H22BrN3O4
Mass
472.339
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 Alpha amino acid amides Cinnamic acids and derivatives Nitrobenzenes N-acylpiperidines Benzoyl derivatives Nitroaromatic compounds Toluenes Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Bromoalkenes Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - N-acyl-piperidine - Nitrobenzene - Nitroaromatic compound - Benzoyl - Toluene - Piperidine - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Allyl-type 1,3-dipolar organic compound - Bromoalkene - Haloalkene - Organic oxoazanium - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Organic zwitterion - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic 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