Compound Identification
SMILES
ClC1=CC=CC=C1OCC1=NOC(=N1)C1=NN(CC(=O)C2=CC3=C(OCO3)C=C2)C(=O)O1
InChIKey
InChIKey=OAIJYLDIVISHHQ-UHFFFAOYSA-N
Formula
C20H13ClN4O7
Mass
456.8
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
Phenoxy compounds Phenol ethers Aryl alkyl ketones Alkyl aryl ethers Chlorobenzenes Aryl chlorides 1,2,4-oxadiazoles 1,3,4-oxadiazoles Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Acetals Organochlorides Organonitrogen compounds Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - 1,2,4-oxadiazole - Oxadiazole - 1,3,4-oxadiazole - Heteroaromatic compound - Azole - Ketone - Acetal - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Aldehyde - Organochloride - Organohalogen compound - 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