Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1\C(Br)=C(/NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCCCC1

InChIKey

InChIKey=OQIUTYABZMBBME-FMQUCBEESA-N

Formula

C22H22BrN3O5

Mass

488.338

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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 heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Coumaric acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - N-acyl-piperidine - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Piperidine - Tertiary carboxylic acid amide - Vinylogous halide - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Azacycle - Bromoalkene - Carboxylic acid derivative - Haloalkene - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Vinyl halide - Vinyl bromide - Organic salt - Carbonyl group - Organic oxygen compound - Organic oxide - Organic zwitterion - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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

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