Compound Identification
SMILES
CC1=CC=C(NC2=C(C(NC3=NC=C(C)C=C3)=NC=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ILCLXCCJZLNTFA-UHFFFAOYSA-N
Formula
C17H16N6O2
Mass
336.355
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
Aniline and substituted anilines Toluenes Methylpyridines Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Heteroaromatic compounds 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
Nitroaromatic compound - Aniline or substituted anilines - Aminopyridine - Aminopyrimidine - Methylpyridine - Toluene - Monocyclic benzene moiety - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Organic oxoazanium - Azacycle - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxygen compound - Organic zwitterion - Organic salt - Organic oxide - 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