Structure Information
Structure

Compound Identification

SMILES

CC1=C(Cl)C(C)=C(C(=O)C1=CNC1=CC(=C2NC3=CC=CC=C3O2)C(=O)C=C1)[N+]([O-])=O

InChIKey

InChIKey=PUBKPDJOKBMTRN-UHFFFAOYSA-N

Formula

C22H16ClN3O5

Mass

437.84

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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 - Quinomethane - Benzenoid - Vinylogous amide - Vinylogous ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Oxacycle - Allylamine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Chloroalkene - Haloalkene - Secondary aliphatic amine - Vinyl halide - Vinyl chloride - Secondary amine - Enamine - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Amine - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Carbonyl group - Organic salt - 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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