Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1CS(=O)(=O)N1CCN(CC2=CC=C(F)C=C2)CC1
InChIKey
InChIKey=IIAXSQVYFIWLAT-UHFFFAOYSA-N
Formula
C18H20FN3O4S
Mass
393.43
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
Phenylmethylamines Benzylamines Nitroaromatic compounds Aralkylamines N-alkylpiperazines Fluorobenzenes Organosulfonamides Organic sulfonamides Aryl fluorides Sulfonyls Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Amine - Organic cation - 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