Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C([C@@H](C3=CC=CC=C3Cl)C(C#N)=C(N)O2)C(=O)O1

InChIKey

InChIKey=NXJIUFBSYJBPKQ-ZDUSSCGKSA-N

Formula

C16H11ClN2O3

Mass

314.73

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrans

Subclass

Pyranones and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyranones and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - Oxacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.

External Descriptors

Not available

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