Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)OC(N)=C(C#N)C1C1=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=CC(Br)=C1

InChIKey

InChIKey=RWQAELQWXIABCI-UHFFFAOYSA-N

Formula

C23H20BrN3O6

Mass

514.332

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyran - Enoate ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Cyanide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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