Compound Identification
SMILES
CCOC1=C(OCC(=O)NC2=CC=CC=C2OC)C=CC(C=C2SC(=O)N(CC3=CC=C(C=C3)[N+]([O-])=O)C2=O)=C1
InChIKey
InChIKey=BASBGZWFFKXCPO-UHFFFAOYSA-N
Formula
C28H25N3O8S
Mass
563.58
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
Anilides Methoxyanilines Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Thiazolidinediones Dicarboximides Thiocarbamic acid derivatives Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Methoxyaniline - Anisole - Phenol ether - N-arylamide - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - Thiazolidinedione - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic salt - 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