Compound Identification
SMILES
CC1=C(C)C(OCC(=O)NN=CC2=C(C=CC(O)=C2)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=SOQSEJXMWABLLF-UHFFFAOYSA-N
Formula
C17H17N3O5
Mass
343.339
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 o-Xylenes Phenoxy compounds Phenol ethers Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenol - Nitrobenzene - Phenoxy compound - Phenol ether - Xylene - O-xylene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - 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