Compound Identification
SMILES
CC1=CC2=C(C=C1)N=C(N2)C(=C\C1=CC2=C(OCO2)C=C1[N+]([O-])=O)\C#N
InChIKey
InChIKey=HMQIOMFNFOVCFD-LFYBBSHMSA-N
Formula
C18H12N4O4
Mass
348.318
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
Benzimidazoles Nitroaromatic compounds Benzenoids Heteroaromatic compounds Imidazoles Organic oxoazanium compounds Nitriles Azacyclic compounds Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Benzodioxole - Nitroaromatic compound - Benzenoid - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Acetal - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organopnictogen compound - Cyanide - Organic salt - Organic nitrogen compound - Organic oxide - 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