Compound Identification
SMILES
COC1=CC=CC=C1NC(=O)CC1=NN=C(SCC(=O)NC2=CC(=C(C)C=C2)[N+]([O-])=O)N1CC=C
InChIKey
InChIKey=RTIAAOUJTIGNJP-UHFFFAOYSA-N
Formula
C23H24N6O5S
Mass
496.54
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
Methoxyanilines Nitrotoluenes Anilides Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Methoxyaniline - Nitrotoluene - N-arylamide - Phenol ether - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Methoxybenzene - Anisole - Alkylarylthioether - Toluene - Alkyl aryl ether - 1,2,4-triazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - 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