Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)[C@H]1[C@@H]2CCCO[C@@H]2N2C(OC3=CC=CC=C23)=C1C#N

InChIKey

InChIKey=IINWPZJCRGQJOJ-YSSFQJQWSA-N

Formula

C21H17N3O4

Mass

375.384

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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 - Nitrobenzene - Nitroaromatic compound - Tetrahydropyridine - Monocyclic benzene moiety - Oxane - Benzenoid - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Cyanide - Organic salt - Amine - Organic oxide - Organic cation - 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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