Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(\C=C\C(=O)NC(=S)NC2=CC3=C(OC(=N3)C3=CC(F)=C(F)C=C3Cl)C=C2)=C1
InChIKey
InChIKey=XCTXGLGXRWFDQZ-QPJJXVBHSA-N
Formula
C23H13ClF2N4O4S
Mass
514.89
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
Phenyl-1,3-oxazoles Benzoxazoles Nitrobenzenes Styrenes Nitroaromatic compounds Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Phenyl-1,3-oxazole - Nitrobenzene - Benzoxazole - Nitroaromatic compound - Styrene - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Oxazole - Azole - Heteroaromatic compound - Thiourea - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organic zwitterion - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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