Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CC=C(OCCN2C(=O)OC3=CC=CC=C23)C=C1)C(=O)OC

InChIKey

InChIKey=QQHCAXGQFJNOAS-UHFFFAOYSA-N

Formula

C21H21NO7

Mass

399.399

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazoles

Subclass

Benzoxazolones

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazolones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazolone - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - Methyl ester - Oxazole - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.

External Descriptors

Not available

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