Compound Identification
SMILES
OC(=C1C(NC(=O)C1=O)C1=CC=CC=C1[N+]([O-])=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=ROTDEOFIMSDYSU-UHFFFAOYSA-N
Formula
C17H11BrN2O5
Mass
403.188
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
Nitrobenzenes Nitroaromatic compounds Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Vinylogous acids Pyrroles Secondary carboxylic acid amides Cyclic ketones Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enols Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic salts Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - 3-pyrrolidone - Vinylogous acid - Pyrrole - Carboxamide group - Ketone - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Cyclic ketone - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Enol - Azacycle - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic salt - Organobromide - Organonitrogen compound - Organooxygen 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