Compound Identification
SMILES
CCOC(=O)C(C#N)=C(C)C1=CC(=C(Br)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KXXUBNCOVIDWRU-UHFFFAOYSA-N
Formula
C13H11BrN2O4
Mass
339.145
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Phenylpropenes Nitrobenzenes Nitroaromatic compounds Bromobenzenes Fatty acid esters Aryl bromides Enoate esters Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid ester - Phenylpropene - Nitrobenzene - Nitroaromatic compound - Halobenzene - Fatty acid ester - Bromobenzene - Fatty acyl - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available