Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=[N+]=O)[C@H]([C@@H]([O-])COS(C)(=O)=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=MOKNRGAASWEITH-QWRGUYRKSA-N

Formula

C13H14BrNO7S

Mass

408.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Alpha-imino acid and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Alpha-imino acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-imino acid ester - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Fatty acyl - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Carboxylic acid ester - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alkoxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha-imino acid esters. These are ester derivatives of alpha-imino acids. They have the general structure RN=CC(=O)OR', where R = H, organyl group and R' = organyl group.

External Descriptors

Not available

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