Compound Identification
SMILES
COC1=CC=CC=C1CSC1=NC2=C(S1)C=C(NC(=O)CC1=CC(=C(O)C=C1)[N+]([O-])=O)C=C2
InChIKey
InChIKey=PCXRGDGJYVSGEF-UHFFFAOYSA-N
Formula
C23H19N3O5S2
Mass
481.54
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 Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylacetamide - Nitrophenol - Nitrobenzene - 1,3-benzothiazole - N-arylamide - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Thioether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organoheterocyclic compound - Ether - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organic oxide - 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