Compound Identification
SMILES
[O-][N+](=O)C1=C(N2CCCC2)C2=CC=CC=C2OC1=O
InChIKey
InChIKey=ADBXTULQWMWTBQ-UHFFFAOYSA-N
Formula
C13H12N2O4
Mass
260.249
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 Dialkylarylamines Nitroaromatic compounds Pyranones and derivatives Benzenoids Vinylogous amides Pyrrolidines Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Lactone - C-nitro compound - Organic nitro compound - Tertiary amine - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Amine - 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