Compound Identification
SMILES
CC(=O)C1=CC=C(NC2=NC=NC(N)=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=IZGKREDECIAQTR-UHFFFAOYSA-N
Formula
C12H11N5O3
Mass
273.252
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
-
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
Acetophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Primary amines Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Primary amine - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - 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