Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(\C=C(/NC(=O)C2=CC=CC=C2Cl)C(=O)OCC2=CC=CO2)=C1
InChIKey
InChIKey=DZIPQCNYPMSHSR-UNOMPAQXSA-N
Formula
C21H15ClN2O6
Mass
426.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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 Cinnamic acid esters 2-halobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Fatty acid esters Aryl chlorides Vinylogous halides Enoate esters Furans Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl halide - Fatty acyl - Furan - Heteroaromatic compound - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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