Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C(C)=C1SC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=RDAANHMJSBHMQE-UHFFFAOYSA-N

Formula

C18H13N5O7S

Mass

443.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoyl derivatives

Intermediate Tree Nodes

Benzoylpyrazoles

Direct Parent

N-benzoylpyrazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-benzoylpyrazole - Diarylthioether - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Azole - Heteroaromatic compound - Pyrazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-benzoylpyrazoles. These are aromatic heterocyclic compounds containing a pyrazole ring that is N-substituted at the 1-position by a benzoyl group.

External Descriptors

Not available

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