Compound Identification
SMILES
OC(CNCCOC(=O)C(F)(F)F)CN1C=CN=C1[N+]([O-])=O
InChIKey
InChIKey=PTUWWAIYDQKSAH-UHFFFAOYSA-N
Formula
C10H13F3N4O5
Mass
326.232
Taxonomic Classification
Taxonomy Tree
-
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
-
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
N-substituted imidazoles Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organofluorides Organic zwitterions Hydrocarbon derivatives Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - N-substituted imidazole - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Imidazole - Azole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Secondary amine - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organoheterocyclic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alcohol - 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