Compound Identification
SMILES
C[N+](C)(C\C=C\C(=O)NC1=NC=C2N=CN=C(NC3=CC(=C(F)C=C3)C(F)(F)F)C2=C1)CC1=C(N=CN1CCC#N)[N+]([O-])=O
InChIKey
InChIKey=CUDFCWZOSLPMCK-HWKANZROSA-O
Formula
C27H25F4N10O3
Mass
613.557
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
Pyrido[3,4-d]pyrimidines Aniline and substituted anilines Nitroimidazoles Nitroaromatic compounds N-arylamides Aminopyrimidines and derivatives Aralkylamines Fluorobenzenes Pyridines and derivatives Aryl fluorides N-substituted imidazoles Imidolactams Tetraalkylammonium salts Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Organic oxoazanium compounds Azacyclic compounds Nitriles Organofluorides Organic oxides Alkyl fluorides Carbonyl compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Trifluoromethylbenzene - Pyrido[3,4-d]pyrimidine - Nitroimidazole - Nitroaromatic compound - N-arylamide - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Aralkylamine - Imidolactam - N-substituted imidazole - Aryl fluoride - Pyrimidine - Aryl halide - Pyridine - Tetraalkylammonium salt - Heteroaromatic compound - Imidazole - Quaternary ammonium salt - Azole - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxoazanium - Secondary amine - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Amine - Alkyl halide - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Cyanide - Alkyl fluoride - Organic salt - Organic cation - 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