Compound Identification
SMILES
CC(C)(C)C1=C\C(=N/NC2=CC(=CC(=C2O)S(O)(=O)=O)[N+]([O-])=O)C(=O)C=C1
InChIKey
InChIKey=DBOFIIDXWFBRKX-GZTJUZNOSA-N
Formula
C16H17N3O7S
Mass
395.39
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
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nitrobenzenes Phenylhydrazines Nitroaromatic compounds Sulfonyls Organosulfonic acids Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenol - Benzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Phenylhydrazine - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Cyclic ketone - Ketone - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic homomonocyclic 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