Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C=CC(=O)N=C2SC3=C(C=CC(F)=C3)N2CC#C)=C1
InChIKey
InChIKey=CECVWZMRPLGIRY-UHFFFAOYSA-N
Formula
C19H12FN3O3S
Mass
381.38
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
Benzothiazoles Nitrobenzenes Styrenes Nitroaromatic compounds Aryl fluorides Thiazoles Heteroaromatic compounds Isothioureas N-acylimines Acetylides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Styrene - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Isothiourea - C-nitro compound - N-acylimine - Acetylide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - 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