Compound Identification
SMILES
CCN1CCCC2=C1C=CC(C=CC(=O)C1=C(OB(F)F)C=CC(=C1)[N+]([O-])=O)=C2
InChIKey
InChIKey=ICRQRPLAYKRBHA-UHFFFAOYSA-N
Formula
C20H19BF2N2O4
Mass
400.19
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
Hydroquinolines Nitrobenzenes Aryl ketones Benzoyl derivatives Dialkylarylamines Styrenes Nitroaromatic compounds Phenoxy compounds Aralkylamines Enones Acryloyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Tetrahydroquinoline - Nitrobenzene - Benzoyl - Phenoxy compound - Nitroaromatic compound - Styrene - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Tertiary amine - Organic nitro compound - Ketone - C-nitro compound - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - 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