Compound Identification
SMILES
OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.CC1=C(CCCNC2=CN=CC=C2)C(=O)N=C(N)N1
InChIKey
InChIKey=KOCDQHBDUKCELE-UHFFFAOYSA-N
Formula
C19H20N8O8
Mass
488.417
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 Nitroaromatic compounds Secondary alkylarylamines Pyrimidones Aminopyridines and derivatives Aminopyrimidines and derivatives Aralkylamines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organooxygen compounds Organopnictogen compounds Primary amines
Molecular Framework
Not available
Substituents
Nitrophenol - Nitrobenzene - Nitroaromatic compound - Aminopyridine - Aminopyrimidine - Aralkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Hydropyrimidine - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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