Compound Identification
SMILES
COC(=O)C1=C(NC(=O)OC2=CC=C(Cl)C=C2)C=C(C(=C1)C1=CC=CN1C)C(F)(F)F
InChIKey
InChIKey=KZRCQGVGCIAOBM-UHFFFAOYSA-N
Formula
C21H16ClF3N2O4
Mass
452.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
-
Subclass
Substituted pyrroles
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Phenylcarbamic acid esters Trifluoromethylbenzenes Benzoic acid esters Phenoxy compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides N-methylpyrroles Vinylogous amides Carbamate esters Heteroaromatic compounds Methyl esters Azacyclic compounds Organochlorides Carbonyl compounds Alkyl fluorides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylcarbamic acid ester - 2-phenylpyrrole - Trifluoromethylbenzene - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Halobenzene - Chlorobenzene - N-methylpyrrole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Methyl ester - Vinylogous amide - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Alkyl halide - Carbonyl group - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available