Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C(C)C2=C(CN(CCC(O)=O)CC2)C=C1)C#N

InChIKey

InChIKey=OZMDKUCCVZLCCO-UHFFFAOYSA-N

Formula

C25H26N4NaO4

Mass

469.496

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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 heteropolycyclic compounds

Substituents

Phenyl-1,2,4-oxadiazole - Tetrahydroisoquinoline - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic alkali metal salt - Cyanide - Organic oxygen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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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