Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(OC(N2)=C2C=C(NC(=O)C3=CC=C(Br)O3)C=CC2=O)C=C1

InChIKey

InChIKey=MCTSIRWYCTXETH-UHFFFAOYSA-N

Formula

C19H13BrN2O4

Mass

413.227

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazoline - 2-heteroaryl carboxamide - Furoic acid or derivatives - O-quinomethane - Quinomethane - Aryl bromide - Aryl halide - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Vinylogous ester - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aldehyde - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.

External Descriptors

Not available

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