Compound Identification
SMILES
COC1=C(OCC=C)C(I)=CC(C=C2C(=O)NC(=O)N(C2=O)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=NBVIZVBLHSNYMO-UHFFFAOYSA-N
Formula
C22H17IN2O7
Mass
548.289
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
Barbituric acid derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers N-acyl ureas Iodobenzenes Aryl iodides Diazinanes Dicarboximides Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Barbiturate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-acyl urea - Alkyl aryl ether - Halobenzene - Pyrimidone - Ureide - Iodobenzene - 1,3-diazinane - Benzenoid - Pyrimidine - Aryl iodide - Monocyclic benzene moiety - Aryl halide - Dicarboximide - Urea - Carbonic acid derivative - Acetal - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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