Compound Identification
SMILES
CNC1=CC=CC=C1C(=O)N[NH+]=C(N)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=ZFDAZPDZTYBSDX-UHFFFAOYSA-O
Formula
C18H17N4O3
Mass
337.358
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 Aminobenzoic acids and derivatives Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives Vinylogous amides Heteroaromatic compounds Amidrazones Amino acids and derivatives Lactones Oxacyclic compounds Carboximidamides Carboxamidines Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Aminobenzoic acid or derivatives - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Pyranone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Carboxylic acid amidrazone - Amino acid or derivatives - Lactone - Carboximidamide - Secondary amine - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid amidine - Amidine - Amine - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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