Compound Identification
SMILES
CCOC(=O)C(=C)C(O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LYWCTQNSDPYAEM-UHFFFAOYSA-N
Formula
C12H13NO5
Mass
251.238
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 hydroxy acids and derivatives Enoate esters Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Hydroxy acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organic nitro compound - Secondary alcohol - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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