Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(CCC(NC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C3=CC(=O)C(SC)=CC=C23)=C1
InChIKey
InChIKey=TUPBMYHLAAQFKG-UHFFFAOYSA-N
Formula
C27H26N2O7S
Mass
522.57
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
Benzamides Tropones Anisoles Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Secondary carboxylic acid amides Cyclic ketones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Anisole - Benzoyl - Tropone - Alkyl aryl ether - Alkylarylthioether - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Cyclic ketone - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - 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