Compound Identification
SMILES
O\C(=C1/[C@@H](N(CCCC([O-])=O)C(=O)C1=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QLRIWIGLCAZKTN-GHNGSUTGSA-M
Formula
C21H16N3O9
Mass
454.372
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
Nitrobenzenes Nitroaromatic compounds N-alkylpyrrolidines Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Tertiary carboxylic acid amides Pyrroles Tertiary amines Amino acids Lactams Cyclic ketones Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Enols Carboxylic acids Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Vinylogous acid - Cyclic ketone - Organic nitro compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid salt - Amino acid - Ketone - Lactam - C-nitro compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enol - Monocarboxylic acid or derivatives - Organic oxoazanium - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic cation - 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