Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC(O)(CC(O)=O)C([O-])=O.COC1=C(C(=O)C2=CC=CN2CC(C)[NH+](C)C)C(Br)=CC=C1

InChIKey

InChIKey=NOBRFESJNKGQOO-UHFFFAOYSA-N

Formula

C23H29BrN2O9

Mass

557.394

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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

Aryl-phenylketones

Alternative Parents

Molecular Framework

Not available

Substituents

Aryl-phenylketone - Tricarboxylic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Vinylogous halide - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Amine - Organopnictogen compound - Organic salt - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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