Compound Identification
SMILES
COC1=CC(C(=O)C2=CN(N=C2)C2=C(C=C(C=C2)S(=O)(=O)N2CCCC2)[N+]([O-])=O)=C(O)C=C1
InChIKey
InChIKey=GWJVWAPOUDRTMM-UHFFFAOYSA-N
Formula
C21H20N4O7S
Mass
472.47
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 Methoxyphenols 4-alkoxyphenols Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Pyrrolidines Vinylogous amides Vinylogous acids Sulfonyls Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylpyrazole - Aryl-phenylketone - Phenylpyrazole - Methoxyphenol - Benzenesulfonamide - Benzenesulfonyl group - 4-alkoxyphenol - Nitrobenzene - Aryl ketone - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Organosulfonic acid amide - Azole - Heteroaromatic compound - Pyrazole - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Vinylogous acid - Organic nitro compound - C-nitro compound - Ketone - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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