Compound Identification
SMILES
C[C@@H](N1C=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=N1)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=VNXXKGQRHHSVRA-COBHIPLLSA-N
Formula
C23H20F2N6O3
Mass
466.449
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
Phenylpropanes Styrenes Nitroaromatic compounds Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Pyrazoles Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Aromatic alcohols Hydrocarbon derivatives Organic zwitterions Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenylpropane - Nitroaromatic compound - Styrene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Tertiary alcohol - 1,2,4-triazole - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organofluoride - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic alcohol - Organic salt - 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