Compound Identification
SMILES
COC1=CC(=C(NC(=O)COC(=O)\C=C\C2=NC3=CC=CC=C3S2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=JKSHRUKYLCRLBU-CMDGGOBGSA-N
Formula
C19H15N3O6S
Mass
413.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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 Benzothiazoles Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds N-arylamides Methoxybenzenes Alkyl aryl ethers Fatty acid esters Thiazoles Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - 1,3-benzothiazole - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Heteroaromatic compound - Azole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic 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