Compound Identification
SMILES
CCCC(C(=O)NCC1=CC=C(C=C1)N1C=C(Br)C=C1C#N)C1=C(C=CC(Cl)=N1)[N+]([O-])=O
InChIKey
InChIKey=JNJOOSHPRUEIIE-UHFFFAOYSA-N
Formula
C22H19BrClN5O3
Mass
516.78
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
Nitroaromatic compounds 2-halopyridines Aryl bromides Aryl chlorides Benzene and substituted derivatives N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic salts Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organobromides Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Nitroaromatic compound - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Cyanide - 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