Compound Identification
SMILES
CC1=CC=C(OCC2=NN=C(SCC(=O)C3=CC(=CC=C3)[N+]([O-])=O)N2C2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=UWYVHMOEPCJKPR-UHFFFAOYSA-N
Formula
C24H19BrN4O4S
Mass
539.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenyl-1,2,4-triazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Aryl alkyl ketones Phenol ethers Phenoxy compounds Alkylarylthioethers Bromobenzenes Alkyl aryl ethers Toluenes Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Nitrobenzene - Phenol ether - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - Toluene - Alkyl aryl ether - Halobenzene - Bromobenzene - Alkylarylthioether - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - 1,2,4-triazole - Heteroaromatic compound - Triazole - Azole - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organic salt - Organobromide - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available