Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)OCC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=SHLKVQBPUBMAGS-UHFFFAOYSA-N
Formula
C16H13NO6
Mass
315.281
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
M-methoxybenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - M-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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