Compound Identification
SMILES
CN(CC(=O)NC1=CC(Cl)=C(Cl)C=C1)C(=O)C1=C(C(C)=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=HDVPDQURQDUOIH-UHFFFAOYSA-N
Formula
C17H15Cl2N3O4
Mass
396.22
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 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,N-dialkyl-m-toluamides Alpha amino acids and derivatives Anilides Nitrobenzenes Nitrotoluenes Benzoyl derivatives Dichlorobenzenes N-arylamides Nitroaromatic compounds Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N,n-dialkyl-m-toluamide - Alpha-amino acid or derivatives - Nitrobenzene - Anilide - M-toluamide - Toluamide - Nitrotoluene - Benzoyl - 1,2-dichlorobenzene - Nitroaromatic compound - N-arylamide - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - 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