Compound Identification
SMILES
CC1=C(NC2=NC(=CC(=O)N2C2=CC=CC=C2)C(F)(F)F)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=PSLWNIBRHXEMID-UHFFFAOYSA-N
Formula
C18H13F3N4O3
Mass
390.322
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitrotoluenes Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Pyrimidones Hydropyrimidines Heteroaromatic compounds Lactams Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxides Organic zwitterions Organofluorides Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Toluene - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Lactam - Organic nitro compound - C-nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Alkyl fluoride - Alkyl halide - Amine - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available