Compound Identification
SMILES
NC(=O)NC(=O)C(=CC1=C(OCC2=CC=C(C=C2)C(O)=O)C=CC(Br)=C1)C#N
InChIKey
InChIKey=KHWRRWKCCNESDH-UHFFFAOYSA-N
Formula
C19H14BrN3O5
Mass
444.241
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers N-acyl ureas Bromobenzenes Aryl bromides Dicarboximides Nitriles Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - N-acyl urea - Ureide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Dicarboximide - Urea - Carbonic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available