Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(CN2C=C(Br)C(=N2)C(=O)NN=CC2=CC(Cl)=C(Cl)C=C2)C=C1

InChIKey

InChIKey=YHGDLEFKXQCEFH-UHFFFAOYSA-N

Formula

C18H12BrCl2N5O3

Mass

497.13

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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 - Nitroaromatic compound - Pyrazole-5-carboxamide - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Vinylogous halide - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organohalogen compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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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