Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NN(C(=O)C2=CC(=CC=C2)[N+]([O-])=O)C(NCC2=CC=C(F)C=C2)=N1
InChIKey
InChIKey=NGZVPNKPSYMLRL-UHFFFAOYSA-N
Formula
C23H18FN5O4
Mass
447.426
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Benzoic acids and derivatives Nitrobenzenes Phenoxy compounds Anisoles Benzoyl derivatives Benzylamines Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Amines Organic zwitterions Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzoic acid or derivatives - Nitrobenzene - Anisole - Benzoyl - Benzylamine - Phenoxy compound - Phenol ether - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available