Compound Identification
SMILES
CC1=C(NC(=O)CSC2=NN=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)C=CC(F)=C1
InChIKey
InChIKey=BIUKVCNLQCYSAO-UHFFFAOYSA-N
Formula
C17H13FN4O4S
Mass
388.37
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 Nitroaromatic compounds N-arylamides Toluenes Alkylarylthioethers Fluorobenzenes Aryl fluorides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Fluorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Oxadiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxygen compound - 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