Compound Identification
SMILES
COCC(C)OC(=O)C1=C(N)N(C2=NC3=CC=CC=C3N=C12)C1=CC(Cl)=CC(Cl)=C1
InChIKey
InChIKey=XMVDBHBZYZHMFM-UHFFFAOYSA-N
Formula
C21H18Cl2N4O3
Mass
445.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
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
Quinoxalines Pyrrolopyrazines Pyrrole carboxylic acids and derivatives Dichlorobenzenes Pyrazines Aryl chlorides Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Dialkyl ethers Organic oxides Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Quinoxaline - Pyrrolopyrazine - 1,3-dichlorobenzene - Pyrrole-3-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ether - Azacycle - Dialkyl ether - Carboxylic acid derivative - Organochloride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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