Compound Identification
SMILES
COC1=CC(=CC(OC)=C1)C(=O)NN1CC(CC1=O)C(=O)OCC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZOTXLIUVFUCZKL-UHFFFAOYSA-N
Formula
C22H21N3O9
Mass
471.422
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
Dimethoxybenzenes Benzoic acids and derivatives Nitrobenzenes Pyrrolidine carboxylic acids Phenoxy compounds Oxoprolines Anisoles Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Alpha-acyloxy ketones Pyrrolidine-2-ones Carboxylic acid esters Lactams Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - M-dimethoxybenzene - Nitrobenzene - Benzoic acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenol ether - Aryl alkyl ketone - Oxoproline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Alpha-acyloxy ketone - 2-pyrrolidone - Benzenoid - Pyrrolidone - Monocyclic benzene moiety - Pyrrolidine - Organic nitro compound - Carboxylic acid ester - Carboxylic acid hydrazide - Lactam - C-nitro compound - Organic oxoazanium - Organoheterocyclic compound - 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