Compound Identification
SMILES
C[N+](C)(C)CCOC(=O)OCOC1=C(CN2N=C(OC2=O)C2=CC=C(C=C2)C(F)(F)F)C=C(Cl)C=C1
InChIKey
InChIKey=CRESOIFXSOJLNN-UHFFFAOYSA-N
Formula
C23H24ClF3N3O6
Mass
530.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Carbonic acid diesters Tetraalkylammonium salts 1,3,4-oxadiazoles Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Amines Alkyl fluorides Organofluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbonic acid diester - 1,3,4-oxadiazole - Azole - Tetraalkylammonium salt - Heteroaromatic compound - Oxadiazole - Quaternary ammonium salt - Carbonic acid derivative - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic 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