Compound Identification
SMILES
COC(=O)C1=CC=C(C=C(C#N)C(=O)NC2=C(Br)C=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=OXHMRTTUCXUMPX-UHFFFAOYSA-N
Formula
C18H12BrN3O5
Mass
430.214
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
Benzoic acid esters Anilides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-arylamides Bromobenzenes Aryl bromides Methyl esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Carbonyl compounds Organobromides Organic salts Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid amide - Benzoate ester - Nitrobenzene - Benzoic acid or derivatives - Anilide - Nitroaromatic compound - N-arylamide - Benzoyl - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - C-nitro compound - 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 - Carbonitrile - Nitrile - Organic oxoazanium - Organic zwitterion - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - 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