Compound Identification
SMILES
COC1=C(NC(=O)CSC2=NC=CN2C)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=PKXVZOZTILQACH-UHFFFAOYSA-N
Formula
C13H14N4O4S
Mass
322.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
Anilides Methoxyanilines Phenoxy compounds Nitroaromatic compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Methoxyaniline - Anilide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Alkylarylthioether - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Sulfenyl compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organic salt - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic zwitterion - 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