Compound Identification
SMILES
[O-][N+](=O)C1=C(NC2=C(F)C=C(F)C=C2)C(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=QKMAXUGJSLYRJH-UHFFFAOYSA-N
Formula
C13H5ClF5N3O4
Mass
397.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
-
Subclass
Aniline and substituted anilines
-
Class
Benzene and substituted derivatives
-
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
Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organopnictogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organofluoride - Amine - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic 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