Compound Identification
SMILES
CC1=NN(C(=O)C2=CC=C(COC3=C(Cl)C=CC(=C3)[N+]([O-])=O)O2)C(O)(C1)C(F)F
InChIKey
InChIKey=GZQJYEWNHNCSLN-UHFFFAOYSA-N
Formula
C17H14ClF2N3O6
Mass
429.76
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
Furoic acid and derivatives Nitroaromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Pyrazolines Heteroaromatic compounds Fluorohydrins N-alkylated hydrazones Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Alkanolamines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Organofluorides Organic zwitterions Organic salts Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Pyrazoline - Fluorohydrin - Halohydrin - C-nitro compound - Organic nitro compound - N-alkylated hydrazone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Alkanolamine - Organic oxoazanium - Oxacycle - Organic zwitterion - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Alkyl halide - Organic salt - 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