Compound Identification
SMILES
OCC(O)C(O)C(O)C(O)C(=O)NN=CC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=JBVOZQXXYIVXEL-UHFFFAOYSA-N
Formula
C13H17N3O8
Mass
343.292
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 Monosaccharides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Polyols Organic oxoazanium compounds Carboxylic acids and derivatives Primary alcohols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Monosaccharide - C-nitro compound - Secondary alcohol - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Polyol - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - 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