Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(O1)C(=O)C(\Br)=C\C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=ZNIBYWWPRUUZQN-UITAMQMPSA-N
Formula
C13H6BrCl2NO4
Mass
391.0
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 Dichlorobenzenes Nitroaromatic compounds Nitrofurans Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Alpha-haloketones Enones Heteroaromatic compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Bromoalkenes Organic oxoazanium compounds Organobromides Organonitrogen compounds Organic salts Organochlorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 2-nitrofuran - Aryl ketone - 1,3-dichlorobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Alpha-haloketone - Enone - Furan - Alpha,beta-unsaturated ketone - Acryloyl-group - Organic nitro compound - C-nitro compound - Ketone - Oxacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Vinyl bromide - Vinyl halide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic cation - 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