Compound Identification
SMILES
CNC(=S)NNC(=O)CSC1=C(N=C(C)N1CC1=CC(=C(OC)C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=GFJOIUOZIVQAPK-UHFFFAOYSA-N
Formula
C16H19N7O6S2
Mass
469.49
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
1,2,4,5-tetrasubstituted imidazoles Methoxyanilines Phenoxy compounds Anisoles Nitroimidazoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers N-substituted imidazoles Imidolactams Thiosemicarbazides Heteroaromatic compounds Carboxylic acid hydrazides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - 1,2,4,5-tetrasubstituted imidazole - Methoxyaniline - Phenol ether - Nitroimidazole - Phenoxy compound - Methoxybenzene - Anisole - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Alkyl aryl ether - N-substituted imidazole - Imidolactam - Imidazole - Heteroaromatic compound - Azole - Thiosemicarbazide - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Sulfenyl compound - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organic salt - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organosulfur 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