Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC\C=C/CC1COC(OC1C1=CN=CC=C1)C1=CC=CC=C1C#N

InChIKey

InChIKey=SMPANMCXFZXSLU-UPHRSURJSA-N

Formula

C22H22N2O4

Mass

378.428

Export to:

JSON SDF CSV

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 - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Meta-dioxane - Pyridine - Unsaturated fatty acid - Fatty acid - Fatty acyl - Heteroaromatic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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

Previous Back Next