Compound Identification
SMILES
[Na+].CC1=C(C=C(C=C1)C(=O)NC(CO)C([O-])=O)N(CCCl)CCCl
InChIKey
InChIKey=ALGDVWRAVKNXQM-UHFFFAOYSA-M
Formula
C15H19Cl2N2NaO4
Mass
385.22
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
- Level 7 Hippuric acids
-
Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Serine and derivatives Aminobenzamides p-Toluamides Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Nitrogen mustard compounds Dialkylarylamines Beta hydroxy acids and derivatives Secondary carboxylic acid amides Amino acids Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Alkyl chlorides Organic oxides Organic sodium salts Organic zwitterions Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Serine or derivatives - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Aminobenzamide - Toluamide - P-toluamide - Nitrogen mustard - Aminotoluene - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Toluene - Beta-hydroxy acid - Hydroxy acid - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic alkali metal salt - Organic metal halide - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available