Compound Identification
SMILES
CCOC(=O)C(=CNC1=CC2=C(C=C1)N=CO2)C#N
InChIKey
InChIKey=NUEVNWDOQQGBER-UHFFFAOYSA-N
Formula
C13H11N3O3
Mass
257.249
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazoles
Alternative Parents
Benzenoids Vinylogous amides Oxazoles Heteroaromatic compounds Enoate esters Amino acids and derivatives Secondary amines Oxacyclic compounds Allylamines Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Benzenoid - Azole - Oxazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Secondary amine - Allylamine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Amine - Cyanide - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
External Descriptors
Not available