Compound Identification
SMILES
COCCN1C(C)=CC(C=C(C#N)C(=O)OCC2=C3OCOCC3=CC(=C2)[N+]([O-])=O)=C1C
InChIKey
InChIKey=FHEIKRWUSUNTBG-UHFFFAOYSA-N
Formula
C22H23N3O7
Mass
441.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxanes
- Subclass Benzo-1,3-dioxanes
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Class
Benzodioxanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,3-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,3-dioxanes
Alternative Parents
Nitroaromatic compounds Fatty acid esters Substituted pyrroles Benzenoids Enoate esters Heteroaromatic compounds Acetals Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,3-dioxane - Nitroaromatic compound - Fatty acid ester - Substituted pyrrole - Fatty acyl - Benzenoid - Pyrrole - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring.
External Descriptors
Not available