Compound Identification
SMILES
OC1=C(C=C2SC(=O)N(CC(=O)NC3=CC=CC=C3F)C2=O)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=NYKNFBYEAOOPEY-UHFFFAOYSA-N
Formula
C18H12FN3O6S
Mass
417.37
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 Thiazolidinediones 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Dicarboximides Thiocarbamic acid derivatives Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrophenol - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Thiazolidinedione - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboximide - Thiazolidine - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Thiocarbamic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic salt - Organohalogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organic cation - 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