Compound Identification
SMILES
COC1=C(Cl)C=C(NC(=O)CN2C(=O)SC(=CC3=CC(=C(OC)C=C3)[N+]([O-])=O)C2=O)C=C1
InChIKey
InChIKey=MTKLYYUOZCOQBH-UHFFFAOYSA-N
Formula
C20H16ClN3O7S
Mass
477.87
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
Alpha amino acids and derivatives Methoxyanilines Anilides Methoxybenzenes N-arylamides Nitroaromatic compounds Anisoles Phenoxy compounds Chlorobenzenes Thiazolidinediones Alkyl aryl ethers Aryl chlorides Dicarboximides Secondary carboxylic acid amides Thiocarbamic acid derivatives Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - Anilide - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Thiazolidinedione - Aryl halide - Aryl chloride - Dicarboximide - Thiazolidine - C-nitro compound - Carboxamide group - Organic nitro compound - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Organic zwitterion - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - 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