Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C1=NN=C(SCC(=O)C2=CC(=CC=C2)[N+]([O-])=O)N1CC1=CC=CO1
InChIKey
InChIKey=GZFODNDKSCEHCY-UHFFFAOYSA-N
Formula
C25H24N4O4S
Mass
476.55
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 Phenylpropanes Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Furans Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyl-1,2,4-triazole - Phenyltriazole - Phenylpropane - Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Aryl thioether - Benzoyl - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Furan - Heteroaromatic compound - Azole - Triazole - 1,2,4-triazole - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Organic zwitterion - 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