Compound Identification
SMILES
OC(=O)CC(C=O)=CC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=XXAUMGRPTHZVQK-UHFFFAOYSA-N
Formula
C11H9NO5
Mass
235.195
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Cinnamaldehydes
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamaldehydes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamaldehydes
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Enals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Aldehydes Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamaldehyde - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aldehyde - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
External Descriptors
Not available