Structure Information
Structure

Compound Identification

SMILES

CC1=C2N\C(OC2=CC=C1)=C1\C=C(C=CC1=O)N=CC1=CC(=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=WCJZRQDPJBODAJ-JPEFUALSSA-N

Formula

C21H14ClN3O4

Mass

407.81

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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

Nitrobenzene - Benzoxazoline - Quinomethane - O-quinomethane - Nitroaromatic compound - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous ester - Vinylogous amide - Cyclic ketone - C-nitro compound - Organic nitro compound - Ketone - Ketene acetal or derivatives - Shiff base - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Oxacycle - Aldimine - Aldehyde - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Imine - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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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