Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(O1)C(=O)C(\Br)=C/C1=CC2=C(OCO2)C=C1[N+]([O-])=O
InChIKey
InChIKey=ZWQCVFJWCOCIRG-FPYGCLRLSA-N
Formula
C14H7BrN2O8
Mass
411.12
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
Benzodioxoles Aryl ketones Nitroaromatic compounds Nitrofurans Alpha-branched alpha,beta-unsaturated ketones Benzenoids Alpha-haloketones Acryloyl compounds Enones Heteroaromatic compounds Oxacyclic compounds Acetals Bromoalkenes Propargyl-type 1,3-dipolar organic compounds Vinyl bromides Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Aldehydes Organobromides Organonitrogen compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzodioxole - Nitroaromatic compound - 2-nitrofuran - Aryl ketone - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-haloketone - Acryloyl-group - Enone - Furan - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Bromoalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Haloalkene - Vinyl halide - Vinyl bromide - Acetal - Oxacycle - Organic oxoazanium - Organic salt - Aldehyde - Organobromide - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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