Compound Identification
SMILES
CC(=O)O[C@@]1(C)OC(=O)[C@]2(N(C(C)=O)C(C)=C(C#N)[C@@]12C#N)C1=CC=CC=C1
InChIKey
InChIKey=HIHQIIJIMMXQSB-SLFFLAALSA-N
Formula
C20H17N3O5
Mass
379.372
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Alpha amino acids and derivatives Ketals Fatty acid esters Acylals Gamma butyrolactones Dicarboxylic acids and derivatives Benzene and substituted derivatives Tetrahydrofurans Tertiary carboxylic acid amides Pyrroles Acetamides Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Alpha-amino acid or derivatives - Ketal - Acylal - Fatty acid ester - Fatty acyl - Benzenoid - Gamma butyrolactone - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Acetamide - Tetrahydrofuran - Tertiary carboxylic acid amide - Pyrrole - Lactone - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available