Compound Identification
SMILES
CC1=CC(C(O)=C2C(N(C(=O)C2=O)C2=NN=C(SCC3=C(Cl)C=C(Cl)C=C3)S2)C2=CC(=CC=C2)[N+]([O-])=O)=C(C)C=C1
InChIKey
InChIKey=ULGKQNISFBGQKA-UHFFFAOYSA-N
Formula
C28H20Cl2N4O5S2
Mass
627.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 p-Xylenes Dichlorobenzenes Nitroaromatic compounds Alkylarylthioethers Aryl chlorides Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Lactams Cyclic ketones Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Enols Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - 1,3-dichlorobenzene - P-xylene - Xylene - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Heteroaromatic compound - Pyrrole - Azole - Vinylogous acid - Tertiary carboxylic acid amide - Thiadiazole - Ketone - C-nitro compound - Lactam - Cyclic ketone - Organic nitro compound - Carboxamide group - Organic oxoazanium - Enol - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - 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