Compound Identification
SMILES
OC1=C(NC(=O)CN2C(=S)SC(=CC3=CC=CC=C3Cl)C2=O)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=XBNBVTBUUKASMK-UHFFFAOYSA-N
Formula
C18H12ClN3O5S2
Mass
449.88
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
Alpha amino acids and derivatives Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Thiazolidinethiones Aryl chlorides Cyclic dithiocarbamic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organosulfur compounds Organic salts Organic zwitterions Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrophenol - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Thiazolidine - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Aromatic heteromonocyclic 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