Compound Identification
SMILES
OC(=C1C(N(C2=NC=CS2)C(=O)C1=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=CC=NC=C1
InChIKey
InChIKey=ZJMAJIVMTKSTNC-UHFFFAOYSA-N
Formula
C19H12N4O5S
Mass
408.39
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 Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridines and derivatives Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Enols Organic oxoazanium compounds Organic oxides Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Pyridine - 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 - Carboxylic acid derivative - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Enol - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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