Structure Information
Structure

Compound Identification

SMILES

CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1.[O-][N+](=O)C1=CC(=C(ONC=C2C=C(Br)C(=O)C(Br)=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ZJXAGKSUXBGPGQ-UHFFFAOYSA-N

Formula

C22H23Br2ClN8O6

Mass

690.73

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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

Not available

Substituents

Nitrobenzene - Quinomethane - P-quinomethane - Phenoxy compound - 2,4-diamine-s-triazine - O-phenylhydroxylamine - Nitroaromatic compound - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - Amino-1,3,5-triazine - Chloro-s-triazine - Aminotriazine - Halo-s-triazine - 1,3,5-triazine - Aryl halide - Aryl chloride - Triazine - Heteroaromatic compound - Alpha-haloketone - Organic nitro compound - C-nitro compound - Cyclic ketone - Ketone - Azacycle - N-organohydroxylamine - Bromoalkene - Organic oxoazanium - Haloalkene - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Vinyl bromide - Vinyl halide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen 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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