Compound Identification
SMILES
CC1=CC=CC(=C1)C(=O)NN1CC(CC1=O)C(=O)OCC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=ITSIGLKZOHZQGI-UHFFFAOYSA-N
Formula
C21H19N3O7
Mass
425.397
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-Toluamides Benzoic acids and derivatives Nitrobenzenes Pyrrolidine carboxylic acids Oxoprolines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alpha-acyloxy ketones Pyrrolidine-2-ones Carboxylic acid esters Carboxylic acid hydrazides Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Toluamide - Benzoic acid or derivatives - M-toluamide - Aryl alkyl ketone - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Oxoproline - Benzoyl - Nitroaromatic compound - Alpha-acyloxy ketone - Toluene - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Pyrrolidine - Carboxylic acid ester - Carboxylic acid hydrazide - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Monocarboxylic acid or derivatives - 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