Compound Identification
SMILES
OC(=C1C(N(C(=O)C1=O)C1=NC=C(Br)C=C1)C1=CC=C(F)C=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HLLUKIZWPRYMEV-UHFFFAOYSA-N
Formula
C22H13BrFN3O5
Mass
498.264
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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 Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridines and derivatives Aryl bromides Aryl fluorides Imidolactams Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enols Organic oxoazanium compounds Organic zwitterions Organobromides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Halobenzene - Fluorobenzene - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Benzenoid - Monocyclic benzene moiety - Aryl halide - Imidolactam - Aryl fluoride - Aryl bromide - Pyridine - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Organic nitro compound - Ketone - Lactam - C-nitro compound - Cyclic ketone - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Enol - Azacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organohalogen compound - Organooxygen compound - Organobromide - Organofluoride - Organonitrogen compound - Organic zwitterion - 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