Compound Identification
SMILES
COC1=C(C=C(Br)C=C1)C1NC(CC(O)=O)(C2C1C(=O)N(C2=O)C1=CC(=CC=C1)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=WREUFWXAYRFDRH-UHFFFAOYSA-N
Formula
C22H18BrN3O9
Mass
548.302
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
Alpha amino acids Nitrobenzenes Pyrrolidine carboxylic acids Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Bromobenzenes Pyrrolidine-2-ones Aryl bromides N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Pyrroles Dicarboximides Amino acids Lactams Dialkylamines Carboxylic acids Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - 2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Methoxybenzene - Anisole - Bromobenzene - Alkyl aryl ether - Halobenzene - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - 2-pyrrolidone - Pyrrolidone - Aryl bromide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrole - Amino acid or derivatives - Organic nitro compound - Lactam - Amino acid - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Ether - Organic oxoazanium - Hydrocarbon derivative - Carbonyl group - Amine - Organic zwitterion - Organic nitrogen compound - Organic salt - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - 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