Compound Identification
SMILES
NC(=O)C1=C(NC(=O)C2=CC(=C(C=C2)N2CCCC2)[N+]([O-])=O)SC2=C1CCCC2
InChIKey
InChIKey=MWWDGJXHGLCWQI-UHFFFAOYSA-N
Formula
C20H22N4O4S
Mass
414.48
Taxonomic Classification
Taxonomy Tree
-
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
Aminobenzoic acids and derivatives Benzamides Nitrobenzenes Thiophene carboxamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Vinylogous amides Pyrroles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Aminobenzoic acid or derivatives - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Pyrrole - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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