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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
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Subclass
Aniline and substituted anilines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
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
Phenylpiperazines N-arylpiperazines Trifluoromethylbenzenes 4-halobenzoic acids and derivatives Benzamides Nitrobenzenes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Amino acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides Organic salts Organic zwitterions Organochlorides
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