Structure Information
Structure

Compound Identification

SMILES

CC1=C(N=C(S1)N1C[C@H](CC1=O)C(=O)OCC(=O)C1=CC=C(Br)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=QBKGNQMYLFCJEK-KRWDZBQOSA-N

Formula

C23H19BrN2O4S

Mass

499.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkyl-phenylketone - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Oxoproline - Pyrrolidine carboxylic acid - Aryl alkyl ketone - Pyrrolidine carboxylic acid or derivatives - Bromobenzene - Halobenzene - Alpha-acyloxy ketone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Thiazole - Tertiary carboxylic acid amide - Azole - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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