Compound Identification
SMILES
COC1=C(Br)C=C2C=C(C(=O)NNC(=O)C3=CC=NC=C3)C(=O)OC2=C1
InChIKey
InChIKey=AKCOIYHMBNWSID-UHFFFAOYSA-N
Formula
C17H12BrN3O5
Mass
418.203
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Pyridinecarboxylic acids and derivatives Anisoles Pyranones and derivatives Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Lactones Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Pyran - Heteroaromatic compound - Carboxylic acid hydrazide - Lactone - Ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available