Compound Identification
SMILES
COC1=CC([C@H]2CCCN2C(=O)COC2=C(C=O)C=C(C=C2)[N+]([O-])=O)=C(OC)C=C1
InChIKey
InChIKey=KNAPQEBFPKTZGY-GOSISDBHSA-N
Formula
C21H22N2O7
Mass
414.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
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
Nitrobenzaldehydes Nitrophenyl ethers Dimethoxybenzenes Anisoles Benzaldehydes Benzoyl derivatives N-acylpyrrolidines Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Pyrroles Tertiary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrophenyl ether - Nitrobenzaldehyde - Dimethoxybenzene - P-dimethoxybenzene - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Benzaldehyde - Benzoyl - N-acylpyrrolidine - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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