Compound Identification
SMILES
COC1=CC=CC=C1C1SC2C(ON=C2N1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=KZRFJNGEKILSPF-UHFFFAOYSA-N
Formula
C23H18FN3O4S
Mass
451.47
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
-
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 Aniline and substituted anilines Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Imidolactams Thiazolidines Isoxazolines Tertiary amines Propargyl-type 1,3-dipolar organic compounds Amidines Oxacyclic compounds Azacyclic compounds Dialkylthioethers Organic oxoazanium compounds Organic salts Organofluorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Isoxazoline - Thiazolidine - Tertiary amine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkylthioether - Thioether - Amidine - Organoheterocyclic compound - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organic salt - Amine - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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