Compound Identification
SMILES
COC(=O)C1=C(C)N(C(=O)C1=CC1=CC=C(Br)C=C1)C1=CC(OC)=CC=C1
InChIKey
InChIKey=WACCQTDADAICJE-UHFFFAOYSA-N
Formula
C21H18BrNO4
Mass
428.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Pyrroles Methyl esters Enoate esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrroline - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxide - 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