Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(C(=O)C(O)=C1C(=O)C1=CC2=CC=CC=C2O1)C1=NC2=C(S1)C=C(Cl)C=C2
InChIKey
InChIKey=JMCGYBUWYOYFNC-UHFFFAOYSA-N
Formula
C27H16BrClN2O6S
Mass
611.85
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 Benzofurans Benzothiazoles Anisoles Aryl ketones Methoxybenzenes O-bromophenols Phenoxy compounds Pyrroline carboxylic acids and derivatives Alkyl aryl ethers Bromobenzenes Aryl chlorides Aryl bromides Pyrroles Tertiary carboxylic acid amides Vinylogous acids Heteroaromatic compounds Furans Thiazoles Lactams Azacyclic compounds Oxacyclic compounds Enols Organonitrogen compounds Organobromides Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Methoxyphenol - 1,3-benzothiazole - Benzofuran - 2-halophenol - Phenoxy compound - Anisole - 2-bromophenol - Phenol ether - Methoxybenzene - Aryl ketone - Pyrroline carboxylic acid or derivatives - Bromobenzene - Halobenzene - Alkyl aryl ether - Phenol - Benzenoid - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazole - Tertiary carboxylic acid amide - Vinylogous acid - Pyrrole - Furan - Heteroaromatic compound - Azole - Ketone - Lactam - Carboxamide group - Carboxylic acid derivative - Enol - Azacycle - Ether - Oxacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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