Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(CC2=CC=CO2)C(=O)C(O)=C1C(=O)C1=C(C)N=C(C)S1
InChIKey
InChIKey=BQMLVUZPTHNDRA-UHFFFAOYSA-N
Formula
C22H19BrN2O6S
Mass
519.37
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
Methoxyphenols 2,4,5-trisubstituted thiazoles Anisoles Pyrroline carboxylic acids and derivatives Aryl ketones Phenoxy compounds Methoxybenzenes O-bromophenols Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Furans Vinylogous acids Pyrroles Tertiary carboxylic acid amides Lactams Oxacyclic compounds Enols Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Methoxyphenol - Phenol ether - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - 2-bromophenol - Aryl ketone - Phenoxy compound - Methoxybenzene - 2-halophenol - Anisole - Bromobenzene - Halobenzene - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Azole - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Furan - Thiazole - Carboxamide group - Lactam - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organic oxide - Hydrocarbon derivative - 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