Compound Identification
SMILES
OC1=C(C=C(CC(=O)NC2=CC3=C(C=C2)N=C(SCC2=CN=CC=C2)S3)C=C1)[N+]([O-])=O
InChIKey
InChIKey=BISYAZXTZNFXNZ-UHFFFAOYSA-N
Formula
C21H16N4O4S2
Mass
452.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Nitrophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenols
Alternative Parents
Phenylacetamides Benzothiazoles Nitrobenzenes N-arylamides Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Pyridines and derivatives Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenol - Phenylacetamide - 1,3-benzothiazole - Nitrobenzene - Aryl thioether - N-arylamide - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available