Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)C2(C)CC2(Cl)Cl)=C(C)N1C1=CC=C(Br)C=C1
InChIKey
InChIKey=OLPSNCYVWVCGQI-UHFFFAOYSA-N
Formula
C19H18BrCl2NO3
Mass
459.16
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
Aryl alkyl ketones Alpha-acyloxy ketones Bromobenzenes Aryl bromides Cyclopropanecarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Alkyl chlorides Organobromides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Aryl alkyl ketone - Aryl ketone - Bromobenzene - Halobenzene - Alpha-acyloxy ketone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Ketone - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkyl chloride - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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