Compound Identification
SMILES
COC1=C2OC(=O)C(=CC2=CC(Br)=C1)N=CC1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=YKOTUJQXDKZHFK-UHFFFAOYSA-N
Formula
C17H11BrN2O5
Mass
403.188
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 Nitrobenzenes Anisoles Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Shiff bases Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organobromides Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Phenol ether - Nitroaromatic compound - Anisole - Pyranone - Alkyl aryl ether - Aryl bromide - Pyran - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Organic nitro compound - Shiff base - Lactone - C-nitro compound - Aldimine - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Imine - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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