Compound Identification
SMILES
C[NH+]1CC[NH+](CCCNC2=C(C(=O)OC3=CC=CC=C23)[N+]([O-])=O)CC1
InChIKey
InChIKey=JKTMNPGWRZOVJZ-UHFFFAOYSA-P
Formula
C17H24N4O4
Mass
348.402
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 N-methylpiperazines Benzenoids Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Secondary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - Pyranone - Pyran - Benzenoid - 1,4-diazinane - Piperazine - Vinylogous amide - Quaternary ammonium salt - Heteroaromatic compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - C-nitro compound - Lactone - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - 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