Compound Identification
SMILES
CC1CCC(CCC2=NN3C(S2)=NC(N)=C(C3=O)[N+]([O-])=O)CC1
InChIKey
InChIKey=QDUSUMWBIVNDPD-UHFFFAOYSA-N
Formula
C14H19N5O3S
Mass
337.4
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
Pyrimidones Aminopyrimidines and derivatives Imidolactams Vinylogous amides Thiadiazoles Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organooxygen compounds Hydrocarbon derivatives Organic oxides Primary amines Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroaromatic compound - Aminopyrimidine - Pyrimidone - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Thiadiazole - Lactam - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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