Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C(=O)NNC(=O)\C=C\C1=CC(Cl)=CC=C1
InChIKey
InChIKey=KHLHCWRCCCYDOR-BQYQJAHWSA-N
Formula
C16H12ClN3O4
Mass
345.74
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
Benzoic acids and derivatives Nitrobenzenes Styrenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organochlorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - 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