Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CCC(NCC3=CC(=CC=C3)[N+]([O-])=O)C3=CC(=O)C(SC)=CC=C23)=C1
InChIKey
InChIKey=XOWSULYKKPWVIN-UHFFFAOYSA-N
Formula
C27H28N2O6S
Mass
508.59
Taxonomic Classification
Taxonomy Tree
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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
Anisoles Benzylamines Nitroaromatic compounds Phenylmethylamines Tropones Alkyl aryl ethers Aralkylamines Alkylarylthioethers Cyclic ketones Organic oxoazanium compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic zwitterions Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzene - Anisole - Benzylamine - Phenylmethylamine - Tropone - Nitroaromatic compound - Aryl thioether - Aralkylamine - Alkylarylthioether - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Cyclic ketone - Secondary aliphatic amine - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic homopolycyclic 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