Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=CSC(=N1)C(=CNC1=C(F)C=CC(=C1)[N+]([O-])=O)C#N
InChIKey
InChIKey=IBBAENDSOXOUHO-UHFFFAOYSA-N
Formula
C20H15FN4O4S
Mass
426.42
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
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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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
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Nitrobenzenes Phenoxy compounds Aniline and substituted anilines Anisoles Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Enamines Nitriles Organic zwitterions Organic salts Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Anisole - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Enamine - Ether - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Amine - Cyanide - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available