Structure Information
Structure

Compound Identification

SMILES

CC12CC3(C)CC(C)(C1)CC(CNC=C1C=C(Br)C=C(C1=O)[N+]([O-])=O)(C2)C3

InChIKey

InChIKey=UPBWHSJKFMVIDA-UHFFFAOYSA-N

Formula

C21H27BrN2O3

Mass

435.362

Export to:

JSON SDF CSV

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

Aliphatic homopolycyclic compounds

Substituents

O-quinomethane - Vinylogous amide - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Enamine - Allylamine - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Vinyl halide - Vinyl bromide - Amine - Organonitrogen compound - Organobromide - Organic zwitterion - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aliphatic homopolycyclic 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

Previous Back Next