Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC(N)=C(Cl)C=C1C1=NOC(=N1)C1CCC2=C(C1)NC=N2

InChIKey

InChIKey=QQCDGBRTBAGPKP-WLHGVMLRSA-N

Formula

C20H20ClN5O6

Mass

461.86

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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

Not available

Substituents

Phenyl-1,2,4-oxadiazole - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Imidazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Primary amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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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