Compound Identification
SMILES
OC(CN(CC=C)CC1=CC=C(C=C1)[N+]([O-])=O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=FZMWGFNRTRITGY-UHFFFAOYSA-N
Formula
C21H21F2N5O3
Mass
429.428
Taxonomic Classification
Taxonomy Tree
-
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
Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Tertiary alcohol - 1,2,4-triazole - 1,2-aminoalcohol - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic zwitterion - Organofluoride - Organohalogen compound - Organonitrogen compound - Amine - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Aromatic alcohol - 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