Compound Identification
SMILES
CC(C)(C)C(=O)C(C#N)=C(O)C1=C(C=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VURHSZKCSQPMBM-UHFFFAOYSA-N
Formula
C14H13ClN2O4
Mass
308.72
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
Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Vinylogous acids Acryloyl compounds Enones Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enols Nitriles Organic salts Organic oxides Hydrocarbon derivatives Organochlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Enol - Organic oxoazanium - Carbonitrile - Nitrile - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organooxygen compound - Organic cation - Aromatic homomonocyclic 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