Structure Information
Structure

Compound Identification

SMILES

CC1=CC([C@H]2C3=C(OC(N)=C2C#N)C(=O)C=C(CO)O3)=C(C)C=C1

InChIKey

InChIKey=YYASEJLMBGRAMO-OAHLLOKOSA-N

Formula

C18H16N2O4

Mass

324.336

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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 - Pyranone - Pyran - Heteroaromatic compound - Ketene acetal or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Aromatic alcohol - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - 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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