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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1C1=NOC(COC(=O)C2=CC=CC(=C2)C#N)=N1

InChIKey

InChIKey=QQKGQXWALDZMIB-UHFFFAOYSA-N

Formula

C18H13N3O3

Mass

319.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Oxadiazoles

Intermediate Tree Nodes

1,2,4-oxadiazoles

Direct Parent

Phenyloxadiazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-oxadiazole - Benzoate ester - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.

External Descriptors

Not available

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