Compound Identification
SMILES
COC1=C(C=C(CN2C(C)=NC(=C2SCC(=O)NN=C(C)C2=CC=C(F)C=C2)[N+]([O-])=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=SPBNOYRZDYXSKB-UHFFFAOYSA-N
Formula
C22H21FN6O6S
Mass
516.5
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
Methoxyanilines 1,2,4,5-tetrasubstituted imidazoles Methoxybenzenes Phenoxy compounds Nitroaromatic compounds Nitroimidazoles Anisoles Fluorobenzenes Alkyl aryl ethers Alkylarylthioethers N-substituted imidazoles Imidolactams Aryl fluorides Heteroaromatic compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - 1,2,4,5-tetrasubstituted imidazole - Methoxyaniline - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Nitroimidazole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Imidolactam - Aryl fluoride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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