Compound Identification
SMILES
COC1=C(OC)C=C(CCN2C(C(=C(O)C3=CC=C(Br)C=C3)C(=O)C2=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=LTLTVNKAKVSFMR-UHFFFAOYSA-N
Formula
C27H23BrN2O7
Mass
567.392
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
Dimethoxybenzenes Nitrobenzenes Anisoles Nitroaromatic compounds Phenoxy compounds Bromobenzenes Alkyl aryl ethers Pyrrolidine-3-ones Aryl bromides Pyrrolidine-2-ones N-alkylpyrrolidines Pyrroles Vinylogous acids Tertiary carboxylic acid amides Cyclic ketones Lactams Enols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Pyrrolidone - Benzenoid - 2-pyrrolidone - N-alkylpyrrolidine - 3-pyrrolidone - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Cyclic ketone - Organic nitro compound - Carboxamide group - Ketone - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Enol - Ether - Azacycle - Organic oxoazanium - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organohalogen compound - Carbonyl group - Organobromide - 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