Compound Identification
SMILES
CC1=C(OCCC2=CC=CC=C2[N+]([O-])=O)C=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
InChIKey
InChIKey=QIAJEISYCLBAPG-KRWDZBQOSA-N
Formula
C22H28N6O5
Mass
456.503
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
N-acyl-alpha amino acids and derivatives p-Toluamides Nitrobenzenes Benzoyl derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Fatty amides Secondary carboxylic acid amides Primary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - P-toluamide - Toluamide - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Fatty amide - Fatty acyl - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Guanidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - 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