Compound Identification
SMILES
CCOC1=C(I)C=C(C=C(C#N)C(=O)NC2=C(Br)C=C(C=C2)[N+]([O-])=O)C=C1I
InChIKey
InChIKey=LLVOHDTVRABNKK-UHFFFAOYSA-N
Formula
C18H12BrI2N3O4
Mass
668.024
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid amides
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid amides
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid amides
Alternative Parents
Anilides Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds N-arylamides Alkyl aryl ethers Bromobenzenes Iodobenzenes Aryl bromides Aryl iodides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organobromides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid amide - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Iodobenzene - Halobenzene - Bromobenzene - Aryl iodide - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Organic zwitterion - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available