Compound Identification
SMILES
CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+]([O-])=O)N1C=C(C=N1)C(=O)C1=C(O)C=CC(F)=C1
InChIKey
InChIKey=IXTJZVSJMWTNQD-UHFFFAOYSA-N
Formula
C20H19FN4O6S
Mass
462.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
- Level 5 Benzoylpyrazoles
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoylpyrazoles
Alternative Parents
Aryl-phenylketones Phenylpyrazoles Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes P-fluorophenols Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Vinylogous acids Vinylogous amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylpyrazole - Aryl-phenylketone - Phenylpyrazole - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Aryl ketone - 4-halophenol - Nitroaromatic compound - 4-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Fluorobenzene - Aryl halide - Organosulfonic acid amide - Aryl fluoride - Azole - Heteroaromatic compound - Pyrazole - Vinylogous acid - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - 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 - Organic oxoazanium - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoylpyrazoles. These are aromatic compounds containing a benzoyl group substituted with a pyrazole ring.
External Descriptors
Not available