Compound Identification
SMILES
[O-][N+](=O)C1=C(C=C(N\C=C2/C(=O)N=C3C=CC4=NNNC4=C23)C=C1)C(F)(F)F
InChIKey
InChIKey=MLXCIZRVNJLBIK-VURMDHGXSA-N
Formula
C16H9F3N6O3
Mass
390.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzotriazoles Indoles and derivatives Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Vinylogous amides Triazoles N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Enamines Organic oxoazanium compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic zwitterions Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzotriazole - Indole or derivatives - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Triazole - Vinylogous amide - C-nitro compound - Organic nitro compound - N-acylimine - Carboxylic acid derivative - Enamine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Amine - Alkyl fluoride - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available