Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)[C@H]1[C@@H]2CCCO[C@@H]2N2C(OC3=CC=CC=C23)=C1C#N
InChIKey
InChIKey=IINWPZJCRGQJOJ-YSSFQJQWSA-N
Formula
C21H17N3O4
Mass
375.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Tetrahydropyridines Oxanes Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - Nitrobenzene - Nitroaromatic compound - Tetrahydropyridine - Monocyclic benzene moiety - Oxane - Benzenoid - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Cyanide - Organic salt - Amine - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
External Descriptors
Not available