Compound Identification
SMILES
OC(=O)C(Br)=CC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=TVWUVZUDFAMXPT-UHFFFAOYSA-N
Formula
C9H6BrNO4
Mass
272.054
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Alpha-halocarboxylic acids Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Bromoalkenes Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Organic oxides Organic salts Hydrocarbon derivatives Organobromides Carbonyl compounds Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Bromoalkene - Organic oxoazanium - Vinyl bromide - Vinyl halide - Haloalkene - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available