Compound Identification
SMILES
CC(=O)C1=CC(N)=CN=C1[N+]([O-])=O
InChIKey
InChIKey=ITGRVLOETNYYSB-UHFFFAOYSA-N
Formula
C7H7N3O3
Mass
181.151
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
-
Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
-
Level 5
C-nitro compounds
-
Subclass
Organic nitro compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Aryl alkyl ketones Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Ketone - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available