Compound Identification
SMILES
[O-][N+](=O)C1=NN(CC(=O)C2=CC3=CC=CC=C3OC2=O)C(Br)=N1
InChIKey
InChIKey=KNWGJQCLSMZBBT-UHFFFAOYSA-N
Formula
C13H7BrN4O5
Mass
379.126
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 Aryl alkyl ketones Nitroaromatic compounds Pyranones and derivatives Aryl bromides Benzenoids Triazoles Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organonitrogen compounds Aldehydes Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Pyranone - Aryl bromide - Aryl halide - Pyran - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Ketone - Lactone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organooxygen compound - Organobromide - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic salt - Organic cation - 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