Compound Identification
SMILES
CCN1C(=O)NC(C(C(=O)C2=CC=CS2)C1(O)C(F)(F)F)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=OGZZUZJQCUFIAQ-UHFFFAOYSA-N
Formula
C18H16F3N3O5S
Mass
443.4
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
Nitroaromatic compounds Aryl alkyl ketones b'-hydroxy-alpha,beta-unsaturated ketones Pyrimidones Diazinanes Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Thiophenes Heteroaromatic compounds Enones Acryloyl compounds Thioenol ethers Organic carbonic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - B'-hydroxy-alpha,beta-unsaturated-ketone - Pyrimidone - Alpha-branched alpha,beta-unsaturated-ketone - Pyrimidine - 1,3-diazinane - Beta-hydroxy ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiophene - Enone - Acryloyl-group - Organic nitro compound - Thioenolether - Carbonic acid derivative - C-nitro compound - Ketone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic hyponitrite - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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