Compound Identification
SMILES
CCOC(=O)C1=C(CCC2=CC=C(C=C2)C(F)(F)F)N=C2N3CCCN3C(=O)C2=C1C1=NC(=CO1)C(O)=O
InChIKey
InChIKey=FXQGHLMQJBRLMG-UHFFFAOYSA-N
Formula
C25H21F3N4O6
Mass
530.46
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
Pyridinecarboxylic acids Pyrazolopyridines 2,4-disubstituted oxazoles Pyrazolones Dicarboxylic acids and derivatives Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Carboxylic acids Oxacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 2,4-disubstituted 1,3-oxazole - Dicarboxylic acid or derivatives - Pyrazolinone - Pyridine - Vinylogous amide - Heteroaromatic compound - Azole - Pyrazole - Oxazole - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alkyl fluoride - Organic oxygen compound - Organopnictogen compound - Organic oxide - Alkyl halide - 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