Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)[C@H](C2=C(NN=C2O1)C1=CC=NC=C1)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=GSYJLNZKXBTEBE-CQSZACIVSA-N

Formula

C18H13N5O3

Mass

347.334

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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 - Monocyclic benzene moiety - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - 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

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