Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(=O)(=O)NC(=O)CCCO[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=PXMOJHNOCQAPLY-UHFFFAOYSA-N
Formula
C21H19F3N4O6S
Mass
512.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Toluenes Organosulfonic acids and derivatives Alkyl nitrates Aminosulfonyl compounds Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Benzenoid - Organic nitrate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Alkyl nitrate - Organic nitro compound - Organic nitric acid or derivatives - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available