Compound Identification
SMILES
COC(=O)C1=C(C)C2=C(S1)N=C(COC1=CC=CC=C1[N+]([O-])=O)NC2=O
InChIKey
InChIKey=KMDAIQPDNRWQPT-UHFFFAOYSA-N
Formula
C16H13N3O6S
Mass
375.36
Taxonomic Classification
Taxonomy Tree
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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
Thienopyrimidines Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds Pyrimidones Alkyl aryl ethers Heteroaromatic compounds Methyl esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Thienopyrimidine - Phenoxy compound - Nitroaromatic compound - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Methyl ester - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic 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