Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=C(C)C=CC(C)=C2)C(=O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZSOKSALEWRMLFH-UHFFFAOYSA-N
Formula
C25H21N3O7S
Mass
507.52
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 p-Xylenes Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Nitroaromatic compounds Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Methyl esters 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 - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Thiazolecarboxylic acid or derivatives - P-xylene - Xylene - Monocyclic benzene moiety - Benzenoid - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Thiazole - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - C-nitro compound - Organic nitro compound - Cyclic ketone - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Enol - Organic oxoazanium - Azacycle - Organic oxygen compound - Organic zwitterion - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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