Compound Identification
SMILES
NN.CCOC(=O)C1=C(NNC1=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=APONTZDDHMIRFW-UHFFFAOYSA-N
Formula
C13H16N4O5
Mass
308.294
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
Pyrazole carboxylic acids and derivatives Pyrazolones Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Pyrazole-4-carboxylic acid or derivatives - Pyrazolinone - Benzenoid - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxylic acid ester - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - Organic nitrogen compound - Hydrocarbon derivative - 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