Compound Identification
SMILES
CCOC(=O)C1=NOC(C2CC2)=C1C(=O)C1=C(C=C(C=C1)S(C)(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=CXMPSYZPHZYVQA-UHFFFAOYSA-N
Formula
C17H16N2O8S
Mass
408.38
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 Aryl-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
Aryl-phenylketones
Alternative Parents
Benzenesulfonyl compounds Nitrobenzenes 5-cyclopropylisoxazoles Benzoyl derivatives Nitroaromatic compounds Sulfones Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Benzenesulfonyl group - Nitrobenzene - 5-cyclopropylisoxazole - Cyclopropylisoxazole - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Sulfone - Sulfonyl - Heteroaromatic compound - 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 - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organosulfur compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available