Compound Identification
SMILES
COC1=CC(NC2=NC=C3C=CN(C3=N2)C2=CC=CC(=C2)C(O)=O)=CC(OC)=C1OC
InChIKey
InChIKey=JKYYSQBEHFFBDS-UHFFFAOYSA-N
Formula
C22H20N4O5
Mass
420.425
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
Pyrrolo[2,3-d]pyrimidines Methoxyanilines Benzoic acids Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Heteroaromatic compounds Amino acids Secondary amines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Benzoic acid or derivatives - Benzoic acid - Pyrrolopyrimidine - Methoxyaniline - Pyrrolo[2,3-d]pyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Benzoyl - Aminopyrimidine - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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