Compound Identification
SMILES
CC1=CC2=C(C=C1C)[N+](=O)C(C(=O)C=CC1=CC3=C(OCO3)C=C1)=C(C)N2[O-]
InChIKey
InChIKey=LSMIPRLPWQVPBH-UHFFFAOYSA-N
Formula
C21H18N2O5
Mass
378.384
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
Quinoxalines Benzodioxoles Styrenes Vinylogous amides Acryloyl compounds Enones Ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Aminoxides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Aldehydes Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Diazanaphthalene - Quinoxaline - Benzodioxole - Styrene - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Vinylogous amide - Ketone - Oxacycle - Azacycle - Aminoxide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Acetal - Organic oxoazanium - Organic salt - Aldehyde - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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