Compound Identification
SMILES
CCOC(=O)C1=C(NC(C2=CC3=C(OC2=O)C=C(C=C3)N(CC)CC)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC)C1=CC2=C(OC1=O)C=C(C=C2)N(CC)CC
InChIKey
InChIKey=UTPSAONXAKEXLV-UHFFFAOYSA-N
Formula
C43H44N4O10
Mass
776.843
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 Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Dialkylarylamines Nitroaromatic compounds Pyranones and derivatives Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Heteroaromatic compounds Amino acids and derivatives Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Enamines Organic salts Carbonyl compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Dihydropyridinecarboxylic acid derivative - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Pyranone - Dihydropyridine - Pyran - Hydropyridine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - C-nitro compound - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Organic nitro compound - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Organic salt - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen 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