Compound Identification
SMILES
CN1C=NC=C1C(O)(C1=CC2=CC(=CC(=C2O1)C1=CC=C(C=C1)C#N)[N+]([O-])=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=YBRQTVAZFOIBMQ-UHFFFAOYSA-N
Formula
C27H17N5O4
Mass
475.464
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzofurans
- Subclass Phenylbenzofurans
-
Class
Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Phenylbenzofurans
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzofurans
Alternative Parents
Benzonitriles Nitroaromatic compounds N-substituted imidazoles Tertiary alcohols Furans Heteroaromatic compounds Oxacyclic compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzofuran - Nitroaromatic compound - Benzonitrile - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Furan - Imidazole - Heteroaromatic compound - Tertiary alcohol - C-nitro compound - Organic nitro compound - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Aromatic alcohol - Organic zwitterion - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan.
External Descriptors
Not available