Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OC(=O)C(=C2N2CCCC2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=AQMUEUDBWFJFEO-UHFFFAOYSA-N
Formula
C13H11N3O6
Mass
305.246
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 Dialkylarylamines Nitroaromatic compounds Pyranones and derivatives Benzenoids Vinylogous amides Pyrrolidines Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Lactone - C-nitro compound - Tertiary amine - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen 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