Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC(=C1N1CCN(CC1)C(=O)C1=CC=C(Cl)C=C1)[N+]([O-])=O)C(F)(F)F

InChIKey

InChIKey=KZAPBMKHPNTFAC-UHFFFAOYSA-N

Formula

C18H14ClF3N4O5

Mass

458.78

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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 heteromonocyclic compounds

Substituents

Dinitroaniline - Phenylpiperazine - N-arylpiperazine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Dialkylarylamine - Benzoyl - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - 1,4-diazinane - Aryl halide - Aryl chloride - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Tertiary amine - Amino acid or derivatives - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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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