Compound Identification
SMILES
CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=C(C)C(=CC=C3)[N+]([O-])=O)SC=C12)C1=CC=C(F)C=C1
InChIKey
InChIKey=MVNMXWRHOCBTLU-UHFFFAOYSA-N
Formula
C23H17FN4O6S
Mass
496.47
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
o-Toluamides Thieno[3,4-d]pyridazines Benzamides Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Pyridazinones Fluorobenzenes Aryl fluorides Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyridazine - Thieno[3,4-d]pyridazine - Benzamide - O-toluamide - Toluamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - Pyridazinone - Fluorobenzene - Halobenzene - Pyridazine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organic zwitterion - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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