Compound Identification
SMILES
CC1(NC(C2C1C(=O)N(C2=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=CC=CS1)C(O)=O
InChIKey
InChIKey=DLDLJLPQMXSIHC-UHFFFAOYSA-N
Formula
C18H15N3O6S
Mass
401.39
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
Alpha amino acids Nitrobenzenes Pyrrolidine carboxylic acids Nitroaromatic compounds Aralkylamines Pyrrolidine-2-ones N-substituted carboxylic acid imides Thiophenes Pyrroles Dicarboximides Heteroaromatic compounds Amino acids Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Dialkylamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Pyrrole - Thiophene - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Amino acid - Lactam - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic zwitterion - Amine - Aromatic heteropolycyclic 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