Compound Identification
SMILES
OC(=O)C1=CC(Br)=CN1C1=CC=CC(=C1)C#N
InChIKey
InChIKey=ZIAUZEPAQJZCSD-UHFFFAOYSA-N
Formula
C12H7BrN2O2
Mass
291.104
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
Pyrrole 2-carboxylic acids Benzonitriles Aryl bromides Heteroaromatic compounds Nitriles Carboxylic acids Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Benzonitrile - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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