Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

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

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