Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=C(C=C(NC(=O)C2=CC=CC=C2Cl)C(=O)NNC=C2C=CC=C(C2=O)[N+]([O-])=O)C=C1

InChIKey

InChIKey=YOFTTWFAVNKPAI-UHFFFAOYSA-N

Formula

C27H26ClN5O5

Mass

535.99

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - O-quinomethane - Quinomethane - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Benzoyl - Dialkylarylamine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Vinylogous amide - Ketone - Cyclic ketone - Organic nitro compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid hydrazide - Carboxamide group - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen 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

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