Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1NC(=O)C(=O)C1=C(O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=XVCUPLSEKKNKKH-UHFFFAOYSA-N
Formula
C19H16BrNO5
Mass
418.243
Taxonomic Classification
Taxonomy Tree
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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 Anisoles Phenoxy compounds Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Aryl bromides Pyrrolidine-2-ones Vinylogous acids Pyrroles Lactams Secondary carboxylic acid amides Cyclic ketones Enols Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Bromobenzene - Halobenzene - Alkyl aryl ether - 2-pyrrolidone - Pyrrolidone - Benzenoid - 3-pyrrolidone - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Vinylogous acid - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Cyclic ketone - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Enol - Ether - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen 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