Compound Identification
SMILES
[Na+].CC(C)COC1=C(C=C(Br)C=C1)C1=CC=C(C)N1C1=CC(C([O-])=O)=C(C)C=C1
InChIKey
InChIKey=ZGRNDVRJFWLTOF-UHFFFAOYSA-M
Formula
C23H23BrNNaO3
Mass
464.335
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
Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Organic metal halides Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrole - 1-phenylpyrrole - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid - Ether - Organic metal halide - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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