Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1N(CCCC([O-])=O)C(=O)C(O)=C1C(C)=O
InChIKey
InChIKey=KVDJNJFVMRWUNC-HNNXBMFYSA-M
Formula
C17H18NO6
Mass
332.333
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
-
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Vinylogous acids Tertiary carboxylic acid amides Pyrroles Carboxylic acid salts Ketones Lactams Azacyclic compounds Carboxylic acids Enols Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Ketone - Lactam - Monocarboxylic acid or derivatives - Ether - Enol - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic 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