Compound Identification
SMILES
COC1=C(NC(=O)C(C)OC(=O)CSC2=NN=C(O2)C2=CC=C(Cl)C=C2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=OPRQPBQDWIINRM-UHFFFAOYSA-N
Formula
C20H17ClN4O7S
Mass
492.89
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
Anilides Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds N-arylamides Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Anilide - Methoxyaniline - Phenol ether - N-arylamide - Phenoxy compound - Methoxybenzene - Anisole - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Azole - Oxadiazole - 1,3,4-oxadiazole - Heteroaromatic compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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