Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=CC=C(Cl)C=C2)C(=O)C1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=MAGPJCHDYORYBX-UHFFFAOYSA-N
Formula
C23H16ClN3O7S
Mass
513.91
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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 Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Nitroaromatic compounds Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides 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 Organonitrogen compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Thiazolecarboxylic acid or derivatives - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Methyl ester - Thiazole - Azole - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Vinylogous acid - Ketone - Cyclic ketone - Lactam - C-nitro compound - Carboxylic acid ester - Carboxamide group - Organic nitro compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enol - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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