Compound Identification
SMILES
COC1=C(C=C2SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ZAIRJSBUTCDRHY-UHFFFAOYSA-N
Formula
C19H21N3O6S
Mass
419.45
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
Alpha amino acids and derivatives Methoxyanilines N-acylpiperidines Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Thiazolidinediones Tertiary carboxylic acid amides Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - N-acyl-piperidine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - Thiazolidinedione - Piperidine - Dicarboximide - Tertiary carboxylic acid amide - Thiazolidine - Organic nitro compound - Carboxamide group - Thiocarbamic acid derivative - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen 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