Compound Identification
SMILES
[O-][N+](=O)C1=CC(NC(=O)CSC2=NN=C(CN3CCCC3)N2CC2=CC=CC=C2)=C(F)C=C1
InChIKey
InChIKey=KAVXMYVHAPJECP-UHFFFAOYSA-N
Formula
C22H23FN6O3S
Mass
470.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Anilides Nitroaromatic compounds N-arylamides Alkylarylthioethers Aralkylamines Fluorobenzenes Aryl fluorides N-alkylpyrrolidines Triazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Organic salts Carbonyl compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Fluorobenzene - Halobenzene - Aralkylamine - Alkylarylthioether - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - 1,2,4-triazole - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Amine - Carbonyl group - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic zwitterion - 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