Compound Identification
SMILES
CC(C)COC(=O)C(\NC(=O)C1=CC=C(OCC(C)C)C=C1)=C\C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=RONTWJMFFCPUKI-XKZIYDEJSA-N
Formula
C24H28N2O6
Mass
440.496
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 Cinnamic acid esters Nitrobenzenes Benzoyl derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Fatty acid esters Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - Benzoyl - Phenoxy compound - Phenol ether - Nitroaromatic compound - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organic salt - 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