Compound Identification
SMILES
CC1=CC(=O)OC2=CC(N3CCC[C@H]3CO)=C(C=C12)[N+]([O-])=O
InChIKey
InChIKey=KNSKFASMACSBDW-JTQLQIEISA-N
Formula
C15H16N2O5
Mass
304.302
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 Pyrrolidines Heteroaromatic compounds 1,2-aminoalcohols Lactones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Pyrrolidine - 1,2-aminoalcohol - Lactone - C-nitro compound - Organic nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Organic oxoazanium - Azacycle - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - 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