Compound Identification
SMILES
CCC(C)N1C(=O)C(CC(=O)NC2=CC(=CC=C2)[N+]([O-])=O)SC1=NC1=C(F)C=C(F)C=C1
InChIKey
InChIKey=DJPAQKYVQWSOEG-UHFFFAOYSA-N
Formula
C21H20F2N4O4S
Mass
462.47
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
Anilides N-arylamides Nitroaromatic compounds Fluorobenzenes Aryl fluorides Thiazolidines Secondary carboxylic acid amides Isothioureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Thiazolidine - Carboxamide group - Isothiourea - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organohalogen compound - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Carbonyl group - 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