Compound Identification
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)C1=C([O-])C(=O)N(CCC[N+]2=CNC=C2)C1C1=CC=C(Br)C=C1
InChIKey
InChIKey=GNRHNEXKZKEHDH-UHFFFAOYSA-N
Formula
C26H22BrN3O5
Mass
536.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
-
Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Benzofurans Anisoles Pyrroline carboxylic acids and derivatives Aryl ketones Alkyl aryl ethers Bromobenzenes Aryl bromides N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Furans Pyrroles Vinylogous acids Lactams Oxacyclic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - Anisole - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Halobenzene - Bromobenzene - N-substituted imidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Furan - Imidazole - Vinylogous acid - Carboxamide group - Ketone - Lactam - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available