Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(=O)CC(=O)C1=CC=CN1CC1=CC=CC(=C1)C#N

InChIKey

InChIKey=KEUBUMXPBHMYKB-UHFFFAOYSA-N

Formula

C16H12N2O4

Mass

296.282

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - Alpha-keto acid - Keto acid - 1,3-dicarbonyl compound - Substituted pyrrole - Heteroaromatic compound - Alpha-hydroxy ketone - Pyrrole - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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