Compound Identification
SMILES
COC1=CC=C(C=C1)C1CC(=NN1C(=O)CSC1=NN=C(CNC(=O)C2=C(C)C(=CC=C2)[N+]([O-])=O)N1C)C1=CC=C(OC)C=C1
InChIKey
InChIKey=METXIQAIYZXZML-UHFFFAOYSA-N
Formula
C31H31N7O6S
Mass
629.69
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
o-Toluamides Benzamides Nitrotoluenes Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Anisoles Alkyl aryl ethers Alkylarylthioethers Pyrazolines Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Benzoic acid or derivatives - Benzamide - Toluamide - O-toluamide - Phenol ether - Phenoxy compound - Methoxybenzene - Benzoyl - Aryl thioether - Nitroaromatic compound - Anisole - Alkylarylthioether - Alkyl aryl ether - Toluene - Pyrazoline - 1,2,4-triazole - Heteroaromatic compound - Azole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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