Compound Identification
SMILES
NC(=O)C1=C(NC(=O)COC(=O)C=CC2=CC=C(C=C2)[N+]([O-])=O)SC2=C1CCC2
InChIKey
InChIKey=DIUPAFVQZDNBLO-UHFFFAOYSA-N
Formula
C19H17N3O6S
Mass
415.42
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
Nitrobenzenes Thiophene carboxamides Styrenes Nitroaromatic compounds N-arylamides Fatty acid esters Vinylogous amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Nitrobenzene - Styrene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Nitroaromatic compound - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic 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