Compound Identification
SMILES
CCC(C)(O)C(NC)C1=CC=CC=C1.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=XBDUYXRJKTXZGL-UHFFFAOYSA-N
Formula
C18H22N4O8
Mass
422.394
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
Phenylpropanes Nitrobenzenes Nitroaromatic compounds Aralkylamines Tertiary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Nitrophenol - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Tertiary alcohol - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Alcohol - Organic salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen 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