Compound Identification
SMILES
CCN(CC)C1=C(NC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C2C(C)=CC(=O)OC2=C1
InChIKey
InChIKey=GEMNJEVJDBZWPO-UHFFFAOYSA-N
Formula
C21H20N4O7
Mass
440.412
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 Benzamides Nitrobenzenes Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Pyranones and derivatives Heteroaromatic compounds Lactones Amino acids and derivatives Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzoyl - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Carboxamide group - Tertiary amine - Organic nitro compound - Secondary carboxylic acid amide - Amino acid or derivatives - C-nitro compound - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Amine - Organonitrogen compound - Organooxygen compound - 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