Compound Identification
SMILES
COC1=CC(=C(C2=NC=CO2)C(=C1O)[N+]([O-])=O)S(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=YKMMYHNBCXBZLD-UHFFFAOYSA-N
Formula
C16H12N2O7S
Mass
376.34
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-1,3-oxazoles Nitrophenols Methoxyphenols Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Sulfones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Phenyl-1,3-oxazole - Nitrophenol - Methoxyphenol - Methoxyaniline - Benzenesulfonyl group - Phenol ether - Methoxybenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol - Alkyl aryl ether - Sulfone - Heteroaromatic compound - Sulfonyl - Oxazole - Azole - Organic nitro compound - C-nitro compound - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - 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