Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(O)C(C#N)C1=CC=CC=C1

InChIKey

InChIKey=ZCYXSECBCOXZGJ-UHFFFAOYSA-N

Formula

C12H13NO3

Mass

219.24

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acid esters

Intermediate Tree Nodes

Not available

Direct Parent

Fatty acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.

External Descriptors

Not available

Previous Back Next