Compound Identification
SMILES
C[C@H](OC1=CC=C(C=C1)[N+]([O-])=O)C1=NC2=C(C(=CS2)C2=CC=CS2)C(=O)N1
InChIKey
InChIKey=QZGRGSXMZQMVOW-JTQLQIEISA-N
Formula
C18H13N3O4S2
Mass
399.44
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
Bi- and oligothiophenes Thienopyrimidines Phenoxy compounds Phenol ethers Nitroaromatic compounds Pyrimidones Alkyl aryl ethers Thiophenes Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Bithiophene - Thienopyrimidine - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - C-nitro compound - Organic nitro compound - 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 - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - 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