Compound Identification
SMILES
[O-][N+](=O)C1=CC(C=O)=C(OCC(=O)NC2=NC=CS2)C=C1
InChIKey
InChIKey=VZSQZGVVFQBBCH-UHFFFAOYSA-N
Formula
C12H9N3O5S
Mass
307.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Nitrobenzaldehydes Benzaldehydes Benzoyl derivatives Phenoxy compounds Phenol ethers N-arylamides Nitroaromatic compounds Alkyl aryl ethers Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Nitrobenzaldehyde - Phenoxy compound - Nitroaromatic compound - Benzaldehyde - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Aryl-aldehyde - Azole - Thiazole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aldehyde - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available