Compound Identification
SMILES
COC(=O)C1=C(C)N(C(=CC2=CC(Cl)=CC=C2)C1=O)C1=CC(C)=C(C)C=C1
InChIKey
InChIKey=AIZOTXGBXLOJSY-UHFFFAOYSA-N
Formula
C22H20ClNO3
Mass
381.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
o-Xylenes Tertiary alkylarylamines Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous amides Pyrroles Methyl esters Enoate esters Amino acids and derivatives Cyclic ketones Monocarboxylic acids and derivatives Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrroline - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - O-xylene - Xylene - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrole - Cyclic ketone - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ketone - Azacycle - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - 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