Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OCCO2)C=C1NC(=O)C(=CC1=CC(=C(SC2=NC=CC=N2)C=C1)[N+]([O-])=O)C#N
InChIKey
InChIKey=LDHJCPHTJVBEIR-UHFFFAOYSA-N
Formula
C22H14N6O7S
Mass
506.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid amides
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid amides
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid amides
Alternative Parents
Diarylthioethers Benzo-1,4-dioxanes Nitrobenzenes Thiophenol ethers N-arylamides Nitroaromatic compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Para dioxins Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic salts Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Diarylthioether - Benzo-1,4-dioxane - Benzodioxane - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Carbonitrile - Organic oxoazanium - Nitrile - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Cyanide - Organic salt - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available