Compound Identification
SMILES
CN1C(CC(=O)NC2=CC(C)=C(C)C=C2)=NN=C1SCC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=FLTRRAWLXOYBEP-UHFFFAOYSA-N
Formula
C21H21N5O4S
Mass
439.49
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
Anilides Nitrobenzenes o-Xylenes Aryl alkyl ketones Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkylarylthioethers Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic salts Organic oxides Hydrocarbon derivatives Aldehydes Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - Benzoyl - O-xylene - Xylene - N-arylamide - Aryl alkyl ketone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Azole - 1,2,4-triazole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic zwitterion - Organic nitrogen compound - 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