Compound Identification
SMILES
COC1=CC(=CC(=C1)[N+]([O-])=O)C(=O)CO
InChIKey
InChIKey=UKQGJGKGMXCKJV-UHFFFAOYSA-N
Formula
C9H9NO5
Mass
211.173
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 Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Alpha-hydroxy ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Alcohol - Organic oxide - Primary alcohol - 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