Compound Identification
SMILES
CC(C)OC(=O)C1=NN(C2=NC3=C(N=C12)C(=NN3C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(=O)OC(C)C)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=XHMROFGESNWTFD-UHFFFAOYSA-N
Formula
C26H20N10O12
Mass
664.504
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
Pyrazolo[3,4-b]pyrazines Nitrobenzenes Pyrazole carboxylic acids and derivatives Nitroaromatic compounds Pyrazines Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Nitrobenzene - Pyrazolo[3,4-b]pyrazine - Nitroaromatic compound - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Pyrazine - Benzenoid - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic 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