Compound Identification
SMILES
OC(=O)C(O)=O.[O-][N+](=O)C1=C(NCCN2CCCC2)C=CC=N1
InChIKey
InChIKey=LIVWXXFTYPUPJM-UHFFFAOYSA-N
Formula
C13H18N4O6
Mass
326.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Secondary alkylarylamines Dicarboxylic acids and derivatives Imidolactams N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Organic oxoazanium compounds Azacyclic compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Not available
Substituents
Nitroaromatic compound - Aminopyridine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Pyridine - Imidolactam - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Azacycle - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - 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