Compound Identification
SMILES
OCCNCCC1=CC=CC=C1.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=CFBYJURXOYYQGS-UHFFFAOYSA-N
Formula
C16H18N4O8
Mass
394.34
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
Phenethylamines Nitrobenzenes Nitroaromatic compounds Aralkylamines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Nitrophenol - Phenethylamine - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - 1,2-aminoalcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Secondary aliphatic amine - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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