Compound Identification
SMILES
CC1=NC(=O)C(=C(N1)N1CCC2=C(CC1)N=C(N)S2)[N+]([O-])=O
InChIKey
InChIKey=PZMDPBXWOPDNII-UHFFFAOYSA-N
Formula
C12H14N6O3S
Mass
322.34
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
Dialkylarylamines Pyrimidones Aminopyrimidines and derivatives Azepines 2-amino-1,3-thiazoles Hydropyrimidines Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - Azepine - Pyrimidone - Hydropyrimidine - Pyrimidine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organic oxygen 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