Compound Identification
SMILES
NC(=O)C1CC(CCO1)[N+]1(CCN2C(C1)=C(C(O)=O)C(Cl)=C2C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=PEFPNTMGGLGUPB-UHFFFAOYSA-O
Formula
C21H23ClN3O6
Mass
448.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Pyrrole carboxylic acids 1-carboxy-2-haloaromatic compounds Pyrans Oxanes Aryl chlorides Benzene and substituted derivatives Vinylogous halides Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Primary carboxylic acid amides Carbamic acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrole - Pyrrole-3-carboxylic acid - 1-carboxy-2-haloaromatic compound - Pyrrole-3-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxane - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Quaternary ammonium salt - Carbamic acid derivative - Carboxamide group - Primary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available