Compound Identification
SMILES
CC1=NN=C(S1)N1C(C(=C(O)C2=CC3=C(OCCO3)C=C2)C(=O)C1=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=QQSBHZYGKIUVGV-UHFFFAOYSA-N
Formula
C22H16N4O7S
Mass
480.45
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
Benzo-1,4-dioxanes Nitrobenzenes Nitroaromatic compounds Alkyl aryl ethers Pyrrolidine-2-ones Para dioxins Pyrrolidine-3-ones Pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Thiadiazoles Vinylogous acids Cyclic ketones Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Enols Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Para-dioxin - Benzenoid - Azole - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Vinylogous acid - Organic nitro compound - Cyclic ketone - Carboxamide group - Ketone - Lactam - C-nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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