Compound Identification
SMILES
COC1=C(OC(C)=O)C(Br)=CC(C=C(C#N)C(=O)NC2=C(C=C(Cl)C=C2)[N+]([O-])=O)=C1
InChIKey
InChIKey=VXJAPNYYVKFANF-UHFFFAOYSA-N
Formula
C19H13BrClN3O6
Mass
494.68
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
Phenol esters Anilides Nitrobenzenes Phenoxy compounds Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Chlorobenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Aryl chlorides Carboxylic acid esters Secondary carboxylic acid amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organobromides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid amide - Phenol ester - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Aryl halide - Aryl chloride - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Carboxylic acid ester - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Organooxygen compound - Organic zwitterion - Organopnictogen compound - Organonitrogen compound - Organic oxide - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organobromide - Carbonyl group - Organohalogen compound - 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