Compound Identification
SMILES
OC(=O)CCCCCNC(=O)C(NC(=O)C1=CC=CC=C1)=CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=AVIHGLLYWABOFS-UHFFFAOYSA-N
Formula
C22H23N3O6
Mass
425.441
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
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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 Alpha amino acid amides Cinnamic acid amides Nitro fatty acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Medium-chain fatty acids Secondary carboxylic acid amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Nitro fatty acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Medium-chain fatty acid - Fatty acyl - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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