Compound Identification
SMILES
CCOC(=O)C1CCCC(C1)[N+](CCCl)(N=O)C(N)=O
InChIKey
InChIKey=YLRGOOISIXZJRQ-UHFFFAOYSA-O
Formula
C12H21ClN3O4
Mass
306.77
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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organic cations
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Nitrosourea - Nitrosamide - Semicarbazide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl chloride - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - 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