Compound Identification
SMILES
FC1=CC(=C(C=CC(=O)N2CCOC(COC3=CC=C(C=C3)N3C=NC=N3)C2)C=C1)C(F)(F)F
InChIKey
InChIKey=QBMRVILEPTZSMI-UHFFFAOYSA-N
Formula
C23H20F4N4O3
Mass
476.432
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-1,2,4-triazoles Trifluoromethylbenzenes Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Aryl fluorides Morpholines Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Morpholine - Aryl fluoride - Aryl halide - Oxazinane - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Triazole - 1,2,4-triazole - Azole - Heteroaromatic compound - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic 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