Compound Identification
SMILES
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1C1=CC2=C(OCO2)C=C1Cl
InChIKey
InChIKey=VQTVRGXYSNHFQE-OAHLLOKOSA-N
Formula
C17H15ClN2O5
Mass
362.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Pyrans Benzenoids Aryl chlorides Vinylogous esters Enoate esters Ketene acetals Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl chloride - Aryl halide - Pyran - Benzenoid - Enoate ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available