Compound Identification
SMILES
CC(C)(C)OC(=O)N\C(NC1=CC(=CC=C1)[N+]([O-])=O)=N/C(=O)OC(C)(C)C
InChIKey
InChIKey=HFKQDLAWXMNDHZ-UHFFFAOYSA-N
Formula
C17H24N4O6
Mass
380.401
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Carbamate esters Guanidines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Organic zwitterions Organic salts Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Carbamic acid ester - Guanidine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxoazanium - Organic salt - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Imine - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available