Structure Information
Structure

Compound Identification

SMILES

CC1=NOC(=C1C1CC1C(O)=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=PFKOYPVZOVEOTC-UHFFFAOYSA-N

Formula

C14H12BrNO3

Mass

322.158

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Isoxazoles

Intermediate Tree Nodes

Cyclopropylisoxazoles

Direct Parent

4-cyclopropylisoxazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-cyclopropylisoxazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-cyclopropylisoxazoles. These are aromatic heterocyclic compounds containing an isoxazole ring substituted at the ring 4-position with a cyclopropyl group.

External Descriptors

Not available

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