Compound Identification
SMILES
CC1=C(C=CC(OCCC2=CC=C(C=C2)[N+]([O-])=O)=N1)[C@H]1CC(=O)[C@@H](CO)O1
InChIKey
InChIKey=SQTDIQCQMCALIX-QZTJIDSGSA-N
Formula
C19H20N2O6
Mass
372.377
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Alkyl aryl ethers Methylpyridines Furanones Oxolanes Heteroaromatic compounds Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Primary alcohols Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Methylpyridine - 3-furanone - Pyridine - Oxolane - Heteroaromatic compound - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Aldehyde - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxygen compound - Alcohol - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available