Compound Identification
SMILES
CC1=C(C)N=C(NC(=O)CN(C2CCCCC2)C(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=XURVZIYYXZTSPK-UHFFFAOYSA-N
Formula
C21H26N4O4S
Mass
430.52
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,N-dialkyl-p-toluamides Alpha amino acids and derivatives Nitrotoluenes Nitrobenzenes 2,4,5-trisubstituted thiazoles Benzoyl derivatives Nitroaromatic compounds N-arylamides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N,n-dialkyl-p-toluamide - Alpha-amino acid or derivatives - P-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Benzoyl - N-arylamide - Toluene - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic salt - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic zwitterion - 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