Compound Identification
SMILES
NC1=C(C(=O)OC2=C1C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=JMEGWCRHIMFPBR-UHFFFAOYSA-N
Formula
C9H5N3O6
Mass
251.154
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 Nitroaromatic compounds Pyranones and derivatives Primary aromatic amines Benzenoids Vinylogous amides Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Organooxygen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Pyranone - Primary aromatic amine - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Oxacycle - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen 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