Compound Identification
SMILES
CN1C=NC(=C1C(=O)\C=C(/O)C1=CC=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=HEHFXPFPILIKSO-YFHOEESVSA-N
Formula
C13H11N3O4
Mass
273.248
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
Aryl ketones Styrenes Nitroaromatic compounds Nitroimidazoles Carbonylimidazoles Imidolactams N-substituted imidazoles Acryloyl compounds Vinylogous acids Enones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enols Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Nitroaromatic compound - Styrene - Nitroimidazole - Aryl ketone - Imidazole-4-carbonyl group - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Vinylogous acid - Imidazole - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Azole - Acryloyl-group - Organic nitro compound - Ketone - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Enol - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - 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