Compound Identification
SMILES
CCOC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC)C1=CC2=C(OC1=O)C=C(C=C2)N(CC)CC
InChIKey
InChIKey=IFKUNHWMCBIZQH-UHFFFAOYSA-N
Formula
C30H31N3O8
Mass
561.591
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 Methyl esters Amino acids and derivatives Lactones Organic oxoazanium compounds Enamines Oxacyclic compounds Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organic zwitterions Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Dihydropyridine - Pyranone - Dicarboxylic acid or derivatives - Hydropyridine - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - C-nitro compound - Tertiary amine - Carboxylic acid ester - Organic nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Secondary amine - Carboxylic acid derivative - Organic oxoazanium - Secondary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Enamine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen 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