Compound Identification
SMILES
CCC1=C(NC(C(C2=C(C)C(CC)=C(N2)C(=O)OC)C2=CC=C(Br)C=C2)=C1C)C(=O)OC
InChIKey
InChIKey=REGHWFODZOVPIV-UHFFFAOYSA-N
Formula
C25H29BrN2O4
Mass
501.421
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrole carboxylic acids and derivatives
Alternative Parents
Bromobenzenes Substituted pyrroles Aryl bromides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrole-2-carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
External Descriptors
Not available