Compound Identification
SMILES
CC(=O)OCC1CCC(CC1)NC(=O)N(CCF)N=O
InChIKey
InChIKey=DSAIPBQRUPSXOR-UHFFFAOYSA-N
Formula
C12H20FN3O4
Mass
289.307
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic carbonic acids and derivatives
-
Subclass
Ureas
- Level 5 Nitrosoureas
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Subclass
Ureas
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Class
Organic carbonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic carbonic acids and derivatives
Subclass
Ureas
Intermediate Tree Nodes
Not available
Direct Parent
Nitrosoureas
Alternative Parents
Semicarbazides Nitrosamides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Nitrosourea - Semicarbazide - Nitrosamide - Organic n-nitroso compound - Carboxylic acid ester - Organic nitroso compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrosoureas. These are compounds containing a nitro group and an urea group N-N linked together, with the general structure R1N(R2)C(=O)N(R3)N=O.
External Descriptors
Not available