Compound Identification
SMILES
CCOC1NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)N1C=C(Cl)C=C1C1=NNN=N1
InChIKey
InChIKey=PSGKKFOWFSRLIU-UHFFFAOYSA-N
Formula
C22H20ClN7O3
Mass
465.9
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Benzimidazoles Dialkylarylamines Secondary alkylarylamines Aryl chlorides Benzene and substituted derivatives Vinylogous amides Tetrazoles Heteroaromatic compounds Amino acids Orthocarboxylic acid derivatives Carboxylic acids Azacyclic compounds Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Benzimidazole - Dialkylarylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Tetrazole - Amino acid or derivatives - Amino acid - Orthocarboxylic acid derivative - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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