Compound Identification
SMILES
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NN=CC1=CC(=C(C=C1)N1CCOCC1)[N+]([O-])=O
InChIKey
InChIKey=GPENXYGXKTYROD-UHFFFAOYSA-N
Formula
C23H26ClN5O5
Mass
487.94
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
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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
Valine and derivatives N-acyl-alpha amino acids and derivatives Phenylmorpholines 4-halobenzoic acids and derivatives Nitrobenzenes Dialkylarylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Azacyclic compounds Organic oxoazanium compounds Oxacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Phenylmorpholine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Halobenzene - Chlorobenzene - Morpholine - Aryl halide - Aryl chloride - Oxazinane - Amino acid or derivatives - C-nitro compound - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organic nitro compound - Ether - Organic oxoazanium - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - 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