Compound Identification
SMILES
CC1=C(C=C(O1)C1OC[C@@H](O)[C@H]1O)C(=O)C(\Br)=C\C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=OSCKIBCROKUSAM-PCUAUUOXSA-N
Formula
C18H16BrNO7
Mass
438.23
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 Aryl ketones Nitroaromatic compounds Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Oxolanes Alpha-haloketones Enones Furans Heteroaromatic compounds 1,2-diols Secondary alcohols Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Bromoalkenes Dialkyl ethers Organic oxoazanium compounds Organobromides Organic zwitterions Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Nitrobenzene - Aryl ketone - Nitroaromatic compound - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Alpha-haloketone - Oxolane - Alpha,beta-unsaturated ketone - Acryloyl-group - Heteroaromatic compound - Enone - Furan - C-nitro compound - Ketone - 1,2-diol - Organic nitro compound - Secondary alcohol - Dialkyl ether - Oxacycle - Ether - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl bromide - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Organic salt - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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