Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=CC=C(F)C=C2)C(=O)C1=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=QQBHDGWSFMIETM-UHFFFAOYSA-N
Formula
C25H16FN3O6S
Mass
505.48
Taxonomic Classification
Taxonomy Tree
-
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
Benzothiazoles Nitrobenzenes Anisoles Nitroaromatic compounds Alkyl aryl ethers Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl fluorides Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enols Organic oxoazanium compounds Organic salts Organic zwitterions Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - 1,3-benzothiazole - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - C-nitro compound - Ketone - Lactam - Cyclic ketone - Organic nitro compound - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Enol - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxygen compound - 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