Structure Information
Structure

Compound Identification

SMILES

COP(=O)(OC)OCC(O)COC1=C(Cl)C=C(C=C1)C1=NOC(=N1)C1=CC(C#N)=C(OC(C)C)C=C1

InChIKey

InChIKey=IWBFVZLFTLJRJD-UHFFFAOYSA-N

Formula

C23H25ClN3O8P

Mass

537.89

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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 - Phenol ether - Phenoxy compound - Trialkyl phosphate - Benzonitrile - Alkyl aryl ether - Halobenzene - Chlorobenzene - Phosphoric acid ester - Organic phosphoric acid derivative - Benzenoid - Aryl chloride - Alkyl phosphate - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Oxacycle - Ether - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organooxygen compound - Organochloride - Organonitrogen 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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