Compound Identification
SMILES
CC1=CC(=O)C(C(=O)O1)=C1CC(SCCN1)C1=C(O)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=NFRSVOAVUZOKGP-UHFFFAOYSA-N
Formula
C17H16N2O6S
Mass
376.38
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 Dihydropyranones Vinylogous amides Enoate esters Enol esters Amino acids and derivatives Cyclic ketones Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Dialkylthioethers Enamines Monocarboxylic acids and derivatives Organic oxoazanium compounds Aldehydes Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyranone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Vinylogous amide - C-nitro compound - Organic nitro compound - Lactone - Ketone - Cyclic ketone - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Organic oxoazanium - Secondary amine - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Aldehyde - Organic salt - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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