Compound Identification
SMILES
NC(=O)[C@@H]1[C@H](SC2=C1CCCC2)[NH+]=CC1=CC(=C(O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KOVLWMKSLDDAAI-ZBFHGGJFSA-O
Formula
C16H18N3O4S
Mass
348.4
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 1-hydroxy-2-unsubstituted benzenoids Dihydrothiophenes Thioenol ethers Shiff bases Primary carboxylic acid amides Primary aldimines Organic oxoazanium compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - 2,3-dihydrothiophene - Carboxamide group - C-nitro compound - Organic nitro compound - Primary carboxylic acid amide - Thioenolether - Shiff base - Aldimine - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Primary aldimine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic cation - 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