Compound Identification
SMILES
[O-][N+](=O)C1=CC(OCC(=O)N2CCC[C@@H]2C2=CC3=C(OCCO3)C=C2)=CC=C1
InChIKey
InChIKey=SPQGPSVEMOMYGD-QGZVFWFLSA-N
Formula
C20H20N2O6
Mass
384.388
Taxonomic Classification
Taxonomy Tree
-
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
Nitrophenyl ethers Benzo-1,4-dioxanes Phenoxy compounds Phenol ethers N-acylpyrrolidines Nitroaromatic compounds Alkyl aryl ethers Para dioxins Tertiary carboxylic acid amides Pyrroles Tertiary amines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - 2-phenylpyrrolidine - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - N-acylpyrrolidine - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - C-nitro compound - Organic nitro compound - Tertiary amine - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Aromatic heteropolycyclic 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