Compound Identification
SMILES
OC(=O)CCCCCNC1=NC(NC2=CC=C(Cl)C=C2)=NC=C1[N+]([O-])=O
InChIKey
InChIKey=QROVWLXRYGFALM-UHFFFAOYSA-N
Formula
C16H18ClN5O4
Mass
379.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-chain fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain fatty acids
Alternative Parents
Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Chlorobenzenes Heterocyclic fatty acids Halogenated fatty acids Aryl chlorides Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organochlorides Organopnictogen compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain fatty acid - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Imidolactam - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic salt - Amine - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Not available