Compound Identification
SMILES
CC1=C(C=CC(=C1)C(=O)N1NC(=CC1(O)C(F)F)C(F)F)[N+]([O-])=O
InChIKey
InChIKey=UONHXJSIYPSCNU-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 Pyrazolines Fluorohydrins Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Alkanolamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Alkyl fluorides Hydrocarbon derivatives Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - M-toluamide - Toluamide - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - Pyrazoline - Organic nitro compound - Carboxylic acid hydrazide - Fluorohydrin - Halohydrin - C-nitro compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkanolamine - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic zwitterion - Alkyl halide - 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