Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(=C\C(N1)=C1\C=CC=CC1=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=FPSYHHHGAATUBJ-DTQAZKPQSA-N

Formula

C18H12BrN3O

Mass

366.218

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-quinomethane - Bromobenzene - Dihydropyridine - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Hydropyridine - Vinylogous amide - Ketene acetal or derivatives - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Cyanide - Organic nitrogen compound - Organohalogen compound - Amine - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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