Compound Identification
SMILES
COC1=CC=CC(C2NC(CC3=CC=C(C=C3)[N+]([O-])=O)(C3C2C(=O)N(CCSC2=CC=CC=C2)C3=O)C(O)=O)=C1OCC1=CC=CC=C1
InChIKey
InChIKey=OZAKXZZDNZBQPU-UHFFFAOYSA-N
Formula
C36H33N3O8S
Mass
667.73
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
Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives Nitrobenzenes Thiophenol ethers Pyrrolidine carboxylic acids Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Aralkylamines Pyrrolidine-2-ones N-alkylpyrrolidines N-substituted carboxylic acid imides Dicarboximides Pyrroles Lactams Amino acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Dialkylamines Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - 3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Nitrobenzene - Thiophenol ether - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrole - Lactam - Organic nitro compound - C-nitro compound - Amino acid - Amino acid or derivatives - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Thioether - Monocarboxylic acid or derivatives - Secondary amine - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Carboxylic acid - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Organic oxide - 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