Compound Identification
SMILES
OC1=C(C=C(\C=C2/C(=O)NC(=S)N(C2=O)C2=CC=C(Cl)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=FJFRIJDWRDECFX-KPKJPENVSA-N
Formula
C17H10ClN3O5S
Mass
403.79
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
N-phenylthioureas Thiobarbituric acid derivatives Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Diazinanes Aryl chlorides Thioureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organic salts Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenol - N-phenylthiourea - Nitrobenzene - Thiobarbiturate - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Organic nitro compound - C-nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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