Compound Identification
SMILES
CCOC1=CC=C(C=C1)C1=CSC(=N1)C(=CNC1=C(C=C(F)C=C1)[N+]([O-])=O)C#N
InChIKey
InChIKey=FUNPXAWEXWCZMI-UHFFFAOYSA-N
Formula
C20H15FN4O3S
Mass
410.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Nitrobenzenes
Alternative Parents
Phenoxy compounds Phenol ethers Aniline and substituted anilines Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Organic oxoazanium compounds Nitriles Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Enamine - Ether - Organic oxoazanium - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available