Compound Identification
SMILES
[O-][N+](=O)C1=CC(OC2=CC=C(Br)C=C2)=CC(NC(=O)C2=NN3C(=N2)N=C(C=C3C(F)(F)F)C2=CC=CC=C2)=C1
InChIKey
InChIKey=YBGQJBJQACBTFX-UHFFFAOYSA-N
Formula
C25H14BrF3N6O4
Mass
599.324
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
Diphenylethers
- Level 5 Bromodiphenyl ethers
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Subclass
Diphenylethers
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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
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Bromodiphenyl ethers
Alternative Parents
Aromatic anilides Phenylpyrimidines Diarylethers Triazolopyrimidines Pyrimidinecarboxamides Nitrobenzenes 2-heteroaryl carboxamides Nitroaromatic compounds Phenol ethers Phenoxy compounds Bromobenzenes Aryl bromides Heteroaromatic compounds Triazoles Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Organic zwitterions Organic salts Organic oxides Alkyl fluorides Hydrocarbon derivatives Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic anilide - Bromodiphenyl ether - 4-phenylpyrimidine - Diaryl ether - Pyrimidinecarboxamide - Triazolopyrimidine - Nitrobenzene - 2-heteroaryl carboxamide - Phenoxy compound - Nitroaromatic compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.
External Descriptors
Not available