Structure Information
Structure

Compound Identification

SMILES

CCC1=CC2=C(OC(N2)=C2C=C(NC(=S)NC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)C=C(C)C2=O)C=C1

InChIKey

InChIKey=YUPDOXKIABYNGU-UHFFFAOYSA-N

Formula

C25H22N4O5S

Mass

490.53

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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

Benzoic acid or derivatives - Benzoxazoline - P-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - O-quinomethane - Quinomethane - Toluene - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Vinylogous amide - Ketene acetal or derivatives - Ketone - C-nitro compound - Thiourea - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aldehyde - Organooxygen compound - Carbonyl group - Organic oxide - Organic zwitterion - Organic salt - Organosulfur 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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