Compound Identification
SMILES
CC1=C(C=CC(=C1)C(=O)N1NC(CC1(O)C(F)F)=C(F)F)[N+]([O-])=O
InChIKey
InChIKey=WRIRJWNTORNCES-UHFFFAOYSA-N
Formula
C13H11F4N3O4
Mass
349.242
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
m-Toluamides Benzoic acids and derivatives Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Pyrazolidines Carboxylic acid hydrazides Fluorohydrins Organic oxoazanium compounds Fluoroalkenes Alkanolamines Propargyl-type 1,3-dipolar organic compounds Vinyl fluorides Azacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - M-toluamide - Toluamide - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Toluene - Pyrazolidine - Carboxylic acid hydrazide - Fluorohydrin - Halohydrin - Organic nitro compound - C-nitro compound - Alkanolamine - Carboxylic acid derivative - Azacycle - Fluoroalkene - Haloalkene - Organic oxoazanium - Organoheterocyclic compound - Vinyl fluoride - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic salt - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkyl halide - Organic nitrogen compound - 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