Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@H](C2=CC(O)=C(O)C=C2)C2=C(CCCC2=O)O1

InChIKey

InChIKey=DTLIZDFEZQPPPW-AWEZNQCLSA-N

Formula

C16H14N2O4

Mass

298.298

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Benzenediols

Intermediate Tree Nodes

Not available

Direct Parent

Catechols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Monocyclic benzene moiety - Pyran - Vinylogous ester - Ketene acetal or derivatives - Ketone - Organoheterocyclic compound - Nitrile - Carbonitrile - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.

External Descriptors

Not available

Previous Back Next