Compound Identification
SMILES
O[C@@H]1CCN2CCC[C@H]12.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=RJNCWURFJNHQGX-ZJLYAJKPSA-N
Formula
C13H16N4O8
Mass
356.291
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 Pyrrolizidines Nitroaromatic compounds N-alkylpyrrolidines Trialkylamines Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Nitrophenol - Nitrobenzene - Nitroaromatic compound - Pyrrolizidine - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - 1,2-aminoalcohol - C-nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic 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