Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1C2C(ON1CC(N)=O)C(=O)N(C2=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=BTFCDEFMTSRECP-UHFFFAOYSA-N
Formula
C21H20BrN3O6
Mass
490.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Phenylisoxazolidines Alpha amino acids and derivatives Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Bromobenzenes Pyrrolidine-2-ones Aryl bromides N-substituted carboxylic acid imides Pyrroles Dicarboximides Primary carboxylic acid amides Lactams N-organohydroxylamines Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylisoxazolidine - 1-phenylpyrrolidine - Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Carboxylic acid imide, n-substituted - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Isoxazolidine - Dicarboximide - Pyrrole - Carboxylic acid imide - Lactam - Primary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - N-organohydroxylamine - Carboxylic acid derivative - Ether - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - 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