Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(C=CC2C3=CCC4C(C3CC3(Cl)C(=O)N(CBr)C(=O)C23Cl)C(=O)N(C4=O)C2=CC(=C(N(C)C)C(=C2)[N+]([O-])=O)[N+]([O-])=O)=C1

InChIKey

InChIKey=CDEMZSORDZPKPH-UHFFFAOYSA-N

Formula

C32H28BrCl2N5O10

Mass

793.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Aniline and substituted anilines

Intermediate Tree Nodes

Not available

Direct Parent

Dinitroanilines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dinitroaniline - 1-phenylpyrrolidine - Isoindolone - Methoxyphenol - Isoindoline - Isoindole or derivatives - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Nitrogen mustard - Phenol ether - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Carboxylic acid imide - Pyrrolidine - Pyrrole - Lactam - C-nitro compound - Tertiary amine - Amino acid or derivatives - Organic nitro compound - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Organic zwitterion - Alkyl chloride - Organic oxygen compound - Alkyl bromide - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.

External Descriptors

Not available

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