Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC=C(N1)C(O)=O

InChIKey

InChIKey=QXZLUBFLEDUMDB-UHFFFAOYSA-N

Formula

C13H14N2O5

Mass

278.264

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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

Direct Parent

Aryl alkyl ketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Dicarboxylic acid or derivatives - Keto acid - Substituted pyrrole - 1,3-dicarbonyl compound - Fatty acyl - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Nitrile - Carbonitrile - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.

External Descriptors

Not available

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