Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C(C)SC2=NN=C(CNC(=O)C3=CC=C(C=C3)[N+]([O-])=O)N2CCC2=CC=CC=C2)SC2=C1CCC2
InChIKey
InChIKey=REOPGKGRTILSRF-UHFFFAOYSA-N
Formula
C31H32N6O6S2
Mass
648.75
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
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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 Thiophene carboxylic acids and derivatives Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkylarylthioethers Vinylogous amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - N-arylamide - Alkylarylthioether - Azole - Heteroaromatic compound - Thiophene - 1,2,4-triazole - Vinylogous amide - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Organic 1,3-dipolar compound - Thioether - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Aromatic heteropolycyclic 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