Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2C1=C(O)C=C(O)C=C1

InChIKey

InChIKey=MTIXHSAAPXNPAV-OAHLLOKOSA-N

Formula

C18H18N2O4

Mass

326.352

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Benzenediols

Intermediate Tree Nodes

Not available

Direct Parent

Resorcinols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.

External Descriptors

Not available

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