Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C1=NC(N)=NC(NC2=CC3=C(OCO3)C=C2)=N1
InChIKey
InChIKey=QPZUXHJBMZUNSI-UHFFFAOYSA-N
Formula
C17H14ClN5O3
Mass
371.78
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 1,3,5-triazine-2,4-diamines Methoxybenzenes Anisoles Alkyl aryl ethers Chlorobenzenes Primary aromatic amines 1,3,5-triazines Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenol ether - Methoxybenzene - Anisole - 2,4-diamine-s-triazine - Phenoxy compound - Chlorobenzene - Alkyl aryl ether - Aminotriazine - Amino-1,3,5-triazine - Halobenzene - Aryl chloride - Aryl halide - 1,3,5-triazine - Benzenoid - Triazine - Primary aromatic amine - Monocyclic benzene moiety - Heteroaromatic compound - Acetal - Oxacycle - Azacycle - Ether - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - 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