Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C(=O)COC(=O)CNC(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=UQNHDXUOFMJEMV-UHFFFAOYSA-N
Formula
C17H12Cl2N2O6
Mass
411.19
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
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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 Alpha amino acid esters N-acyl-alpha amino acids and derivatives 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds Alpha-acyloxy ketones Aryl chlorides Vinylogous halides Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Carbonyl group - Organic salt - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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