Compound Identification
SMILES
COC1=CC=CC(C2N(C3=NOC(C)=C3)C(=O)C(=O)C2=C(O)C2=CC=C(Cl)C=C2)=C1OC
InChIKey
InChIKey=XDAXFAJNFODWBM-UHFFFAOYSA-N
Formula
C23H19ClN2O6
Mass
454.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Imidolactams Vinylogous acids Tertiary carboxylic acid amides Pyrroles Isoxazoles Heteroaromatic compounds Cyclic ketones Lactams Oxacyclic compounds Azacyclic compounds Enols Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Imidolactam - Benzenoid - Aryl chloride - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrole - Azole - Isoxazole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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