Compound Identification
SMILES
[O-][N+](=O)C1=C(NCCC[NH+]2CCOCC2)C2=CC=CC=C2OC1=O
InChIKey
InChIKey=OAURYGLBIZQWFI-UHFFFAOYSA-O
Formula
C16H20N3O5
Mass
334.351
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 Nitroaromatic compounds Secondary alkylarylamines Pyranones and derivatives Benzenoids Morpholines Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Pyranone - Morpholine - Benzenoid - Oxazinane - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Vinylogous amide - Tertiary amine - Lactone - C-nitro compound - Organic nitro compound - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic salt - Organic oxide - 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