Compound Identification
SMILES
CC1=C(F)C=C(C=C1)C([O-])=C1[C@@H](N(C2=NC=CS2)C(=O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OJRAWCNCVSXQCX-KRWDZBQOSA-M
Formula
C21H13FN3O5S
Mass
438.41
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
Nitrobenzenes Nitroaromatic compounds Toluenes Fluorobenzenes Aryl fluorides Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Tertiary amines Cyclic ketones Lactams Amino acids and derivatives Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organofluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Aryl halide - Benzenoid - Aryl fluoride - Azole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Vinylogous acid - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Ketone - Lactam - Cyclic ketone - Carboxamide group - C-nitro compound - Organic nitro compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organofluoride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organic cation - 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