Compound Identification
SMILES
CC(C)(C)CC1=[N+]([O-])[C@@H]([C@@H](C2=CC(Cl)=C(F)C=C2)[C@@]11C(=O)NC2=CC(Cl)=C(F)C=C12)C(O)=O
InChIKey
InChIKey=OBVDMVGEBLWZNL-MSYCTHLASA-N
Formula
C23H20Cl2F2N2O4
Mass
497.32
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
Alpha amino acids and derivatives Indolines Pyrroline carboxylic acids Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Pyrroles Secondary carboxylic acid amides Lactams Nitrones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic zwitterions Organochlorides Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic salts Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrroline - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aryl fluoride - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Nitrone - Lactam - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - 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