Compound Identification
SMILES
OC1=C(C=C(C=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=O)C=C1I)[N+]([O-])=O
InChIKey
InChIKey=BBUONXXJKHOTCO-UHFFFAOYSA-N
Formula
C22H26IN3O4S
Mass
555.43
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
Nitrobenzenes Nitroaromatic compounds O-iodophenols Iodobenzenes Aryl iodides Thiazolidines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organopnictogen compounds Organoiodides Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenol - Nitrobenzene - Nitroaromatic compound - 2-halophenol - 2-iodophenol - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Thiazolidine - Organic nitro compound - Isothiourea - C-nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidamide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organic oxide - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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