Compound Identification
SMILES
CC1=CC=C(C=C1)C1=C\C(=N/NC2=CC=C(C=C2)[N+]([O-])=O)C2=C(O1)C(=O)C=CC=C2
InChIKey
InChIKey=XYTDBPDVAAMEHG-LKUDQCMESA-N
Formula
C23H17N3O4
Mass
399.406
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptapyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptapyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptapyrans
Alternative Parents
Nitrobenzenes Tropones Phenylhydrazines Nitroaromatic compounds Toluenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrazones Organooxygen compounds Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptapyran - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Tropone - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Hydrazone - Organic oxoazanium - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptapyrans. These are organic heterocyclic compounds containing a cycloheptane derivative fused to a pyran. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
External Descriptors
Not available