Compound Identification
SMILES
CC1=CSC(=N1)N1C(\C(=C(/O)C2=CC=CC=C2)C(=O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=YBCFIYQCCUNXSR-FBMGVBCBSA-N
Formula
C21H15N3O5S
Mass
421.43
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 2,4-disubstituted thiazoles Pyrrolidine-3-ones Pyrrolidine-2-ones 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 Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Azole - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Ketone - Lactam - C-nitro compound - Organic nitro compound - 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 - Organic oxoazanium - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - 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