Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(C2=CC=CO2)C2=C(O1)C=CC(=CNC1=CC=C(Br)C=C1)C2=O

InChIKey

InChIKey=MJSYAZVWNYGOTL-UHFFFAOYSA-N

Formula

C21H14BrN3O3

Mass

436.265

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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 heteropolycyclic compounds

Substituents

Aniline or substituted anilines - O-quinomethane - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Furan - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Ketene acetal or derivatives - Enamine - Allylamine - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Amine - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Cyanide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic 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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