Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)C=CC2=CC=C(Br)O2)=C(C)N1C1=CC=C(C)C=C1
InChIKey
InChIKey=JWZBGELASGYLST-UHFFFAOYSA-N
Formula
C22H20BrNO4
Mass
442.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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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
Aryl alkyl ketones Toluenes Alpha-acyloxy ketones Fatty acid esters Aryl bromides Vinylogous amides Enoate esters Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Toluene - Alpha-acyloxy ketone - Fatty acyl - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Furan - Carboxylic acid ester - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Aldehyde - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - 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