Compound Identification
SMILES
O[C@@H]([C@H]1COCCC1=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ISLLWPBIQZQNMU-CMPLNLGQSA-N
Formula
C12H13NO5
Mass
251.238
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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 Oxanes Secondary alcohols Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic salts Organic oxides Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic alcohols Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Oxane - Ketone - C-nitro compound - Secondary alcohol - Cyclic ketone - Organic nitro compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Organic nitrogen compound - Aldehyde - Alcohol - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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