Compound Identification
SMILES
COC1=C(C=C(C=C1)[N+]([O-])=O)N1N=NC(C#N)=C1C(F)(F)F
InChIKey
InChIKey=BHDNNPIWDHIYQS-UHFFFAOYSA-N
Formula
C11H6F3N5O3
Mass
313.196
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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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
Nitrophenyl ethers
Alternative Parents
Phenyl-1,2,3-triazoles Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Heteroaromatic compounds Nitriles Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic salts Hydrocarbon derivatives Organofluorides Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Phenyltriazole - Phenyl-1,2,3-triazole - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Triazole - Heteroaromatic compound - 1,2,3-triazole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Azacycle - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Alkyl halide - Organonitrogen compound - Organofluoride - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Cyanide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available