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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1=NOC(CCC(N)=O)=N1

InChIKey

InChIKey=PQMSUELGQATRIZ-UHFFFAOYSA-N

Formula

C12H13N3O2

Mass

231.255

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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 - Toluene - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen 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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