Compound Identification
SMILES
CC1=C(C)C=C(C=C1)N1N=CC2=C1N=CN=C2NNC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=HTEOCWCSAXOPQS-UHFFFAOYSA-N
Formula
C20H17N7O3
Mass
403.402
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-d]pyrimidines Benzoic acids and derivatives Nitrobenzenes o-Xylenes Benzoyl derivatives Nitroaromatic compounds Pyrimidines and pyrimidine derivatives Imidolactams Heteroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Pyrazolopyrimidine - Benzoic acid or derivatives - Pyrazolo[3,4-d]pyrimidine - Nitrobenzene - Nitroaromatic compound - Benzoyl - Xylene - O-xylene - Imidolactam - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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