Compound Identification
SMILES
CC1=C(C=CC(=C1)C(=O)NC1=NC(=CS1)C1=CC2=C(OCCO2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=QDHZBSIDOPJELE-UHFFFAOYSA-N
Formula
C19H15N3O5S
Mass
397.41
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
m-Toluamides Benzamides Nitrotoluenes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Para dioxins Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Nitrobenzene - Nitrotoluene - Benzoic acid or derivatives - Toluamide - M-toluamide - Benzamide - Benzoyl - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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