Compound Identification
SMILES
CCCCN(CCC1=C(O)C(=CC=C1)[N+]([O-])=O)C(=O)CCCCNC(O)=O
InChIKey
InChIKey=MSCIXSOMTSMDSX-UHFFFAOYSA-N
Formula
C18H27N3O6
Mass
381.429
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Nitrophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenols
Alternative Parents
Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids N-acyl amines Tertiary carboxylic acid amides Tertiary amines Carbamic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - N-acyl-amine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carbamic acid - C-nitro compound - Carbamic acid derivative - Tertiary amine - Carboxamide group - Organic nitro compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Amine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available