Compound Identification
SMILES
CC1=CC(=NO1)N1C(C(=C(O)C2=CC=C(Cl)C=C2)C(=O)C1=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=JOQJXHRVTCENAK-UHFFFAOYSA-N
Formula
C21H15ClN2O5
Mass
410.81
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Imidolactams Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Isoxazoles Cyclic ketones Lactams Enols Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous acid - Azole - Pyrrole - Tertiary carboxylic acid amide - Isoxazole - Carboxamide group - Cyclic ketone - Ketone - Lactam - Azacycle - Enol - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available