Compound Identification
SMILES
CC1=CC=C(SC2=CC=C(C=C2)N2C(=O)C3=C(C=C(C=C3)C(=O)OCC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C2=O)C=C1
InChIKey
InChIKey=ZLHXWNCGVHQWIK-UHFFFAOYSA-N
Formula
C30H20N2O7S
Mass
552.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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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
Phthalimides Diarylthioethers Nitrobenzenes Isoindoles Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Toluenes N-substituted carboxylic acid imides Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phthalimide - Diarylthioether - Isoindolone - Nitrobenzene - Isoindole or derivatives - Isoindole - Isoindoline - Aryl thioether - Aryl alkyl ketone - Thiophenol ether - Nitroaromatic compound - Benzoyl - Toluene - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxide - Organic salt - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic 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