Structure Information
Structure

Compound Identification

SMILES

I.CCCCCCN1C(OC2=CC=CC=C12)=CC=CC1OC2=C(C(=O)CC=C2)[N+]1([O-])CCCCCC

InChIKey

InChIKey=VMIBIRUPZHILDN-UHFFFAOYSA-N

Formula

C29H39IN2O4

Mass

606.545

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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 - Benzenoid - Oxazoline - Vinylogous ester - Ketene acetal or derivatives - Ketone - N-oxide - Trisubstituted n-oxide - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic nitrogen 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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