Compound Identification
SMILES
CCC1=CC2=C(OC(N2)=C2C=C(NC(=S)NC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)C=C(C)C2=O)C=C1
InChIKey
InChIKey=YUPDOXKIABYNGU-UHFFFAOYSA-N
Formula
C25H22N4O5S
Mass
490.53
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
p-Toluamides Benzoic acids and derivatives Nitrotoluenes Nitrobenzenes Benzoyl derivatives O-quinomethanes Nitroaromatic compounds Vinylogous esters Vinylogous amides Thioureas Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Benzoxazoline - P-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - O-quinomethane - Quinomethane - Toluene - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Vinylogous amide - Ketene acetal or derivatives - Ketone - C-nitro compound - Thiourea - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aldehyde - Organooxygen compound - Carbonyl group - Organic oxide - Organic zwitterion - Organic salt - Organosulfur compound - Organic oxygen compound - 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