Compound Identification
SMILES
COC1(C)CC(C2C(O1)C1=CC=CC=C1OC2=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=YQUIWPSUNFBSHT-UHFFFAOYSA-N
Formula
C20H19NO6
Mass
369.373
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
1-benzopyrans Nitrobenzenes Nitroaromatic compounds Ketals Oxanes Carboxylic acid esters Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Ketal - Monocyclic benzene moiety - Oxane - Benzenoid - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Acetal - Monocarboxylic acid or derivatives - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available