Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N(C(=O)C=CC1=CC=C(C=C1)[N+]([O-])=O)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(S1)C(=O)OC
InChIKey
InChIKey=CYLLFPDPWWZNOQ-UHFFFAOYSA-N
Formula
C29H26N2O8S3
Mass
626.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Hydroquinolines Nitrobenzenes Nitroaromatic compounds Phenol ethers Styrenes Alkyl aryl ethers Vinylogous thioesters Dicarboxylic acids and derivatives 1,3-dithioles Enoate esters Methyl esters Tertiary carboxylic acid amides Thioketones Ketene acetals Thioenol ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Tetrahydroquinoline - Nitrobenzene - Nitroaromatic compound - Styrene - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Vinylogous thioester - Methyl ester - 1,3-dithiole - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Dithiole - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Thioenolether - Thioketone - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Azacycle - Organic salt - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Thiocarbonyl group - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available