Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)N(CC=C)C(S2)=NC(=O)C=CC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=CJCGHMLDGMZLCL-UHFFFAOYSA-N
Formula
C20H15N3O5S
Mass
409.42
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
Benzodioxoles Benzothiazoles Styrenes Nitroaromatic compounds Thiazoles Heteroaromatic compounds Isothioureas N-acylimines Acetals Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzodioxole - 1,3-benzothiazole - Nitroaromatic compound - Styrene - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Acetal - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic salt - Organic oxide - Hydrocarbon derivative - 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