Compound Identification
SMILES
CC(=O)C1=CC=C(NC2=C(C(NNC(=O)CC3=CC=CC=C3)=NC=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=BOWFTTXPHWBPSO-UHFFFAOYSA-N
Formula
C20H18N6O4
Mass
406.402
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
Phenylacetamides Acetophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Amino acids and derivatives Carboxylic acid hydrazides Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylacetamide - Acetophenone - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Carboxylic acid hydrazide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxide - Amine - 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