Compound Identification
SMILES
O[C@]1(NC(=S)N[C@H]([C@@H]1C(=O)C1=CC=CS1)C1=CC(=CC=C1)[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=WXAQPJPABGAKLU-XUJVJEKNSA-N
Formula
C16H12F3N3O4S2
Mass
431.4
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
Aryl alkyl ketones Nitroaromatic compounds Diazinanes Thiophenes Heteroaromatic compounds Fluorohydrins Thioureas Organic oxoazanium compounds Alkanolamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - 1,3-diazinane - Thiophene - Heteroaromatic compound - Fluorohydrin - Halohydrin - Ketone - C-nitro compound - Thiourea - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkanolamine - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organofluoride - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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