Compound Identification
SMILES
COC1=C(NC(=S)N[C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=NRZUNRTYNSRCTD-GFCCVEGCSA-N
Formula
C15H18Cl3N5O5S
Mass
486.75
Taxonomic Classification
Taxonomy Tree
-
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
N-phenylthioureas Methoxyanilines Morpholine carboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Ureas Thioureas Tertiary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Hydrocarbon derivatives Alkyl chlorides Organochlorides Organic zwitterions Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - N-phenylthiourea - Morpholine-4-carboxylic acid or derivatives - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Morpholine - Oxazinane - Organic nitro compound - C-nitro compound - Tertiary amine - Thiourea - Urea - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl chloride - Carbonyl group - Alkyl halide - Amine - 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