Compound Identification
SMILES
C[C@@]1(NN2C(S1)=NN=C2C(F)(F)F)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=CGTPOKRJXPOSMX-JTQLQIEISA-N
Formula
C11H8F3N5O2S
Mass
331.27
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
Nitroaromatic compounds Alkylarylthioethers Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Azole - 1,2,4-triazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Organohalogen compound - Aromatic heteropolycyclic 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