Compound Identification
SMILES
CN(C)CC1=CC=C(CSCCNC2=C(C=CC=N2)[N+]([O-])=O)O1
InChIKey
InChIKey=ATVGNKXELOXTEJ-UHFFFAOYSA-N
Formula
C15H20N4O3S
Mass
336.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Aminopyridines and derivatives Aralkylamines Imidolactams Furans Heteroaromatic compounds Trialkylamines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aminopyridine - Aralkylamine - Pyridine - Imidolactam - Furan - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Organic oxoazanium - Thioether - Oxacycle - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Amine - Organonitrogen compound - Organic salt - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available