Compound Identification
SMILES
COC(=O)C1=C(C)NC(=S)NC1C1=CC(=C(O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=LXSBXBVWLRHDAV-UHFFFAOYSA-N
Formula
C13H13N3O5S
Mass
323.32
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 Hydropyrimidine carboxylic acids and derivatives Nitroaromatic compounds Pyrimidinethiones 1-hydroxy-2-unsubstituted benzenoids 2-Thiopyrimidines Vinylogous amides Enoate esters Methyl esters Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenol - Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Thiourea - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organic salt - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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