Compound Identification
SMILES
CCCC1=C(OCCCOC2=C(OC)C=C(C=C2)[N+]([O-])=O)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=ZHFDIZXVZXBDJP-UHFFFAOYSA-N
Formula
C21H25NO7
Mass
403.431
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
Nitrophenyl ethers Acetophenones Methoxyanilines Phenylpropanes Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrophenyl ether - Acetophenone - Phenylpropane - Nitrobenzene - Methoxyaniline - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Benzoyl - Nitroaromatic compound - Methoxybenzene - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic homomonocyclic 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