Compound Identification
SMILES
CC1=C(C=C(C=C1)N1N=C(COCCCO[N+]([O-])=O)C=C1C1=CC=C(C=C1)S(C)(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=YGOWGBUJJRJIFY-UHFFFAOYSA-N
Formula
C21H22N4O8S
Mass
490.49
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
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Benzenesulfonyl compounds Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Alkyl nitrates Sulfones Heteroaromatic compounds Organic nitric acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Nitrobenzene - Benzenesulfonyl group - Nitrotoluene - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - Benzenoid - Organic nitrate - Heteroaromatic compound - Alkyl nitrate - Sulfone - Sulfonyl - C-nitro compound - Organic nitric acid or derivatives - Organic nitro compound - Dialkyl ether - Ether - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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