Compound Identification
SMILES
NC1=C(C#N)[C@H](C2=C(NN=C2O1)C1=CC=NC=C1)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=GSYJLNZKXBTEBE-CQSZACIVSA-N
Formula
C18H13N5O3
Mass
347.334
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
- Level 5 Catechols
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Subclass
Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Catechols
Alternative Parents
1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
External Descriptors
Not available