Compound Identification
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)C1=C([O-])C(=O)N(CCC[N+]2=CNC=C2)C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=JXOQTBYRDHKKRZ-UHFFFAOYSA-N
Formula
C26H22ClN3O5
Mass
491.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Benzofurans Anisoles Pyrroline carboxylic acids and derivatives Aryl ketones Alkyl aryl ethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Furans Pyrroles Vinylogous acids Lactams Oxacyclic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - Anisole - Aryl ketone - Phenol ether - Pyrroline carboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Pyrrole - Tertiary carboxylic acid amide - Vinylogous acid - Furan - Carboxamide group - Lactam - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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