Compound Identification
SMILES
CC1=C(SC=C1)C=C(C#N)C(=O)NC1=CC2=C(OCCO2)C=C1[N+]([O-])=O
InChIKey
InChIKey=XOTCLTTUTDLGDB-UHFFFAOYSA-N
Formula
C17H13N3O5S
Mass
371.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
N-arylamides Nitroaromatic compounds Alkyl aryl ethers Para dioxins Benzenoids Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Nitroaromatic compound - N-arylamide - Alkyl aryl ether - Para-dioxin - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organopnictogen compound - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available