Compound Identification
SMILES
OC1=CC=C(\C=C\C(=O)OC2=C(C=CC=C2[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=MVANYFMAFGIBJR-RMKNXTFCSA-N
Formula
C15H10N2O7
Mass
330.252
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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 Phenol esters Nitrobenzenes Styrenes Phenoxy compounds Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid ester - Cinnamic acid ester - Coumaric acid or derivatives - Phenol ester - Nitrobenzene - Styrene - Phenoxy compound - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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