Compound Identification
SMILES
ClCCN(N=O)C(=O)NCCC#N
InChIKey
InChIKey=RHHUHIRUWQOEIH-UHFFFAOYSA-N
Formula
C6H9ClN4O2
Mass
204.61
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
-
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 Nitriles Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Nitrosourea - Semicarbazide - Nitrosamide - Organic n-nitroso compound - Organic nitroso compound - Carbonitrile - Nitrile - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic 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