Compound Identification
SMILES
COC1=CC=C(C=C1)N1CC(CC1=O)C(=O)OCC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HCHOINIUBWKYPU-UHFFFAOYSA-N
Formula
C20H18N2O7
Mass
398.371
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
Phenylpyrrolidines Methoxyanilines Nitrobenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Oxoprolines Phenoxy compounds Pyrrolidine carboxylic acids Alpha-acyloxy ketones Alkyl aryl ethers Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Lactams Carboxylic acid esters Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - Methoxyaniline - Nitrobenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aryl alkyl ketone - Phenol ether - Oxoproline - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - Benzoyl - Anisole - Alpha-acyloxy ketone - Alkyl aryl ether - Benzenoid - Pyrrolidone - Monocyclic benzene moiety - 2-pyrrolidone - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic 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