Compound Identification
SMILES
CCOC(=O)C(=CC1=CC(=C(O)C=C1)[N+]([O-])=O)C#N
InChIKey
InChIKey=GABFKJWWYUXOEY-UHFFFAOYSA-N
Formula
C12H10N2O5
Mass
262.221
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Level 5
Hydroxycinnamic acid esters
- Level 6 Coumaric acid esters
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Level 5
Hydroxycinnamic acid esters
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Hydroxycinnamic acid esters
Direct Parent
Coumaric acid esters
Alternative Parents
Cinnamic acid esters Coumaric acids and derivatives Nitrophenols Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Enoate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Nitriles Organic oxides Hydrocarbon derivatives Organic salts Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonitrile - Nitrile - Organic salt - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.
External Descriptors
Not available