Compound Identification
SMILES
CSC1=NN=C(C)N1NC(=O)COC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=RLZVONLKTVWQPV-UHFFFAOYSA-N
Formula
C12H13N5O4S
Mass
323.33
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
Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Triazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Azole - Heteroaromatic compound - 1,2,4-triazole - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Thioether - Azacycle - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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