Compound Identification
SMILES
COC1=C(C=CC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)C=C(Br)C=C1
InChIKey
InChIKey=JSZRGGTYFXSBMG-UHFFFAOYSA-N
Formula
C18H13BrN2O4
Mass
401.216
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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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
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid amides Phthalimides Isoindoles Styrenes Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Bromobenzenes Aryl bromides N-unsubstituted carboxylic acid imides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Phthalimide - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Phenoxy compound - Anisole - Methoxybenzene - N-arylamide - Styrene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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