Compound Identification
SMILES
CCOC(=O)C1=C(Br)N(N=C1)C1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=CFRQJQQYBFNEMH-UHFFFAOYSA-N
Formula
C13H9BrF3N3O4
Mass
408.131
Taxonomic Classification
Taxonomy Tree
-
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
Trifluoromethylbenzenes Nitrobenzenes Pyrazole carboxylic acids and derivatives Nitroaromatic compounds Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Alkyl fluorides Organic oxides Organic salts Hydrocarbon derivatives Organobromides Organofluorides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Pyrazole-4-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Vinylogous amide - 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 - Alkyl halide - Organic salt - Organofluoride - Organobromide - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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