Compound Identification
SMILES
CN1C(=O)N(C)C(=O)C(C(=O)COC(=O)C(=CC2=C(C)N(C(C)=C2)C2=CC=C(Br)C=C2)C#N)=C1N
InChIKey
InChIKey=JIOOGVBJQMKDPN-UHFFFAOYSA-N
Formula
C24H22BrN5O5
Mass
540.374
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
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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 Pyrimidones Alpha-acyloxy ketones Bromobenzenes Aminopyrimidines and derivatives Fatty acid esters Aryl bromides Hydropyrimidines Vinylogous amides Enoate esters Heteroaromatic compounds Ureas Amino acids and derivatives Lactams Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Pyrimidone - Halobenzene - Alpha-acyloxy ketone - Fatty acid ester - Bromobenzene - Hydropyrimidine - Aryl halide - Aryl bromide - Benzenoid - Fatty acyl - Pyrimidine - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Heteroaromatic compound - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Urea - Ketone - Lactam - Nitrile - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carbonitrile - Organic nitrogen compound - Organobromide - Amine - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Primary amine - Organic oxygen compound - Organohalogen compound - Organooxygen 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