Compound Identification
SMILES
[O-][N+](=O)C1=CC(C=C2SC3=NC4=CC=CC=C4N3C2=O)=C(OCC2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=DAOFEKDLLOAJPL-UHFFFAOYSA-N
Formula
C23H13Cl2N3O4S
Mass
498.33
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
Benzimidazoles Phenoxy compounds Phenol ethers Dichlorobenzenes Nitroaromatic compounds Alkyl aryl ethers Aryl chlorides N-substituted imidazoles Thiazoles Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Benzimidazole - Phenoxy compound - Nitroaromatic compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiazole - Organic nitro compound - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic cation - 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