Compound Identification
SMILES
CCOC(=O)C(C=O)C(=O)CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XKMMWGCCBISJSG-UHFFFAOYSA-N
Formula
C13H13NO6
Mass
279.248
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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 Fatty acid esters Beta-keto acids and derivatives Beta ketoaldehydes 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Beta-keto acid - Fatty acid ester - Beta-ketoaldehyde - 1,3-dicarbonyl compound - Keto acid - Fatty acyl - C-nitro compound - Ketone - Carboxylic acid ester - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Aldehyde - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - 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