Compound Identification
SMILES
O=C(CC1=NC(C#N)=C(N=C1CC(=O)C=CC1=CC=CC=C1)C#N)C=CC1=CC=CC=C1
InChIKey
InChIKey=TTXYRZMNNLBZJX-UHFFFAOYSA-N
Formula
C26H18N4O2
Mass
418.456
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
Styrenes Pyrazines Heteroaromatic compounds Enones Acryloyl compounds Ketones Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Monocyclic benzene moiety - Pyrazine - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Ketone - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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