Structure Information
Structure

Compound Identification

SMILES

O=C1ON(CCC#N)C=C1

InChIKey

InChIKey=DNSSEQBYSHSUGR-UHFFFAOYSA-N

Formula

C6H6N2O2

Mass

138.126

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Isoxazoles

Intermediate Tree Nodes

Not available

Direct Parent

Isoxazoles

Alternative Parents

Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Heteroaromatic compound - Vinylogous amide - Isoxazole - Oxacycle - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.

External Descriptors

Not available

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