Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C[NH2+][C@H](CC(=O)C2=CC=C(Br)C=C2)C([O-])=O)C=C1

InChIKey

InChIKey=TWCOTRAOVBMTGI-MRXNPFEDSA-N

Formula

C18H18BrNO4

Mass

392.249

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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 homomonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Benzylamine - Aryl alkyl ketone - Gamma-keto acid - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Bromobenzene - Halobenzene - Keto acid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - Quaternary ammonium salt - Carboxylic acid salt - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organic zwitterion - Amine - Organic salt - Organobromide - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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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