Compound Identification
SMILES
CN(C)C1=CC=C(NC2=C(C(=O)OC3=CC=CC=C23)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ATFSMNNRUVJXKS-UHFFFAOYSA-N
Formula
C17H15N3O4
Mass
325.324
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 Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Pyranones and derivatives Primary aromatic amines Vinylogous amides Heteroaromatic compounds Lactones Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Monocyclic benzene moiety - Primary aromatic amine - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactone - Organic nitro compound - Tertiary amine - C-nitro compound - Secondary amine - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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