Compound Identification
SMILES
CCOC(=O)C(C(C[N+]([O-])=O)C1=CC2=C(OCO2)C=C1)C(=O)CCC1=CC=CN1C
InChIKey
InChIKey=NJCSDLRFEHMRCV-UHFFFAOYSA-N
Formula
C21H24N2O7
Mass
416.43
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
Beta-keto acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds Benzenoids N-methylpyrroles Heteroaromatic compounds C-nitro compounds Carboxylic acid esters Ketones Monocarboxylic acids and derivatives Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Aldehydes Hydrocarbon derivatives Organic salts Organonitrogen compounds Organopnictogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Beta-keto acid - Fatty acid ester - Keto acid - N-methylpyrrole - Substituted pyrrole - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Heteroaromatic compound - Pyrrole - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Acetal - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic salt - Hydrocarbon derivative - Aldehyde - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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