Compound Identification
SMILES
NC(N)=NC(=O)NC1OC(CO)C(O)C1O.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=RTONSOUBEUPEOS-UHFFFAOYSA-N
Formula
C13H17N7O12
Mass
463.316
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
Pentoses Nitrobenzenes Nitroaromatic compounds Tetrahydrofurans Secondary alcohols Guanidines Organic carbonic acids and derivatives Carboximidamides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Carbonyl compounds Primary alcohols Imines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Not available
Substituents
Nitrophenol - Pentose monosaccharide - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Monosaccharide - Tetrahydrofuran - Guanidine - C-nitro compound - Carbonic acid derivative - Secondary alcohol - Organic nitro compound - Organoheterocyclic compound - Carboximidamide - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Imine - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organic zwitterion - 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