Compound Identification
SMILES
CCN1C(CC(=O)NC2=CC=C(F)C=C2)=NN=C1SCC(=O)NC1=CC(=C(C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=AYIFGUAURQKZCM-UHFFFAOYSA-N
Formula
C21H21FN6O4S
Mass
472.5
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 Nitrotoluenes N-arylamides Nitroaromatic compounds Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Triazoles Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitrotoluene - Aryl thioether - Nitroaromatic compound - N-arylamide - Fluorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl halide - Aryl fluoride - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic zwitterion - Hydrocarbon derivative - 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