Structure Information
Structure

Compound Identification

SMILES

CC1=CC(Br)=CC(=CNC2=CC3=C(OC(N3)=C3C=CC(=O)C(Br)=C3)C=C2)C1=O

InChIKey

InChIKey=HOUBFNSEGMLZBT-UHFFFAOYSA-N

Formula

C21H14Br2N2O3

Mass

502.162

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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 - O-quinomethane - P-quinomethane - Quinomethane - Benzenoid - Alpha-haloketone - Vinylogous amide - Ketene acetal or derivatives - Ketone - Cyclic ketone - Enamine - Allylamine - Secondary amine - Vinyl bromide - Vinyl halide - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aldehyde - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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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