Compound Identification
SMILES
COCCCN1C(C)=C(C(=O)OC)C(=CC2=C(C)N(C(C)=C2)C2=CC=CC=C2C(F)(F)F)C1=O
InChIKey
InChIKey=KXSIMSOWJCFOLK-UHFFFAOYSA-N
Formula
C25H27F3N2O4
Mass
476.496
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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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
Trifluoromethylbenzenes Enoate esters Heteroaromatic compounds Methyl esters Pyrrolines Tertiary carboxylic acid amides Vinylogous amides Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Pyrroline - Tertiary carboxylic acid amide - Heteroaromatic compound - Methyl ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Organooxygen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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