Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)OCC1=C(C=CC(N)=C1)[N+]([O-])=O)C(=O)O2
InChIKey
InChIKey=DYOUHYDYKCRHJO-UHFFFAOYSA-N
Formula
C21H21N3O6
Mass
411.414
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 Benzyloxycarbonyls Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Pyranones and derivatives Heteroaromatic compounds Lactones Amino acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic salts Organic oxides Primary amines Hydrocarbon derivatives Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Benzyloxycarbonyl - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Tertiary amine - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic salt - Organic oxide - Organooxygen compound - Organic zwitterion - Primary amine - 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