Compound Identification
SMILES
OCCOCCN1C(C(=C(O)C2=CC=C(C=C2)[N+]([O-])=O)C(=O)C1=O)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=FQUBJJHMAMUABV-UHFFFAOYSA-N
Formula
C21H19N3O9
Mass
457.395
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
Nitrobenzenes Nitroaromatic compounds Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Cyclic ketones Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Enols Organic oxoazanium compounds Primary alcohols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - C-nitro compound - Organic nitro compound - Cyclic ketone - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkyl ether - Enol - Organic oxoazanium - Ether - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organic zwitterion - 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