Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCN(CC)CCOC(=O)C1=NOC2=C1C=CC(=C2)[N+]([O-])=O

InChIKey

InChIKey=YHPFMPWEYPIOCM-UHFFFAOYSA-M

Formula

C14H17ClN3O5

Mass

342.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzisoxazole - Nitroaromatic compound - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic salt - Organic chloride salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.

External Descriptors

Not available

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