Compound Identification
SMILES
CC1=CC(=CC(C)=C1OCC(=O)NN=CC1=CC=C(O1)C1=CC(=CC=C1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=SMOIYPUIAOKOAF-UHFFFAOYSA-N
Formula
C22H18F3N3O5
Mass
461.397
Taxonomic Classification
Taxonomy Tree
-
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
Trifluoromethylbenzenes Nitrotoluenes m-Xylenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Furans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Oxacyclic compounds Organic oxoazanium compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Alkyl fluorides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Trifluoromethylbenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Phenol ether - M-xylene - Xylene - Alkyl aryl ether - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Organopnictogen compound - Organic zwitterion - Carbonyl group - Organic nitrogen compound - Organic salt - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - 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