Compound Identification
SMILES
CC1=CC(NC2=NC(N)=C(C(NC3=CC=CC=C3F)=N2)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=ZOULRGJDKKCEDP-UHFFFAOYSA-N
Formula
C17H15FN6O2
Mass
354.345
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 Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Nitroaromatic compound - Aminopyrimidine - Fluorobenzene - Halobenzene - Toluene - Imidolactam - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organofluoride - Primary amine - Organohalogen compound - Amine - Organic zwitterion - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - 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