Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)OCC1=C(C=CC(=C1)C#CC1=CC=C(OC)C=C1)[N+]([O-])=O)C(=O)O2
InChIKey
InChIKey=YOLIDCMFEPTAPO-UHFFFAOYSA-N
Formula
C30H26N2O7
Mass
526.545
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 Phenoxy compounds Anisoles Dialkylarylamines Nitroaromatic compounds Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactones Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Benzyloxycarbonyl - 1-benzopyran - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - Amino acid or derivatives - Lactone - Tertiary amine - C-nitro compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic cation - 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