Compound Identification
SMILES
NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)C1=CC=C(Cl)C=C1)C(=O)NO
InChIKey
InChIKey=OBNAZEHHQGYILT-JTQLQIEISA-N
Formula
C13H17ClN6O5
Mass
372.77
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
-
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 4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Nitroguanidines Aryl chlorides Nitramines Secondary carboxylic acid amides Hydroxamic acids Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic salts Organochlorides Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Nitroguanidine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Nitramine - Organic nitro compound - Secondary carboxylic acid amide - Guanidine - Hydroxamic acid - Carboxamide group - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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