Structure Information
Structure

Compound Identification

SMILES

CC1=CC([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)=C(C)C=C1

InChIKey

InChIKey=KMSKENHXTDXLMM-MRXNPFEDSA-N

Formula

C18H18N2O2

Mass

294.354

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Xylenes

Intermediate Tree Nodes

Not available

Direct Parent

p-Xylenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-xylene - Cyclohexenone - Pyran - Vinylogous ester - Ketone - Ketene acetal or derivatives - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.

External Descriptors

Not available

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