Compound Identification
SMILES
COC1=CC(=C(NC(=O)CC2SC(NC3=C(C)C=C(Cl)C=C3)=NC2=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=BNODKUWAGFYKQY-UHFFFAOYSA-N
Formula
C19H17ClN4O5S
Mass
448.88
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 Anisoles Methoxybenzenes Phenoxy compounds N-arylamides Nitroaromatic compounds Alkyl aryl ethers Toluenes Chlorobenzenes Aryl chlorides Thiazolines N-acylimines Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl halide - Aryl chloride - Meta-thiazoline - Organic nitro compound - Carboxamide group - Isothiourea - C-nitro compound - Secondary carboxylic acid amide - N-acylimine - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen 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