Compound Identification
SMILES
COC1=CC=C(C=C1)C(=NC1=CC=CC=C1)N(SC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=QOWGEDWPLZXVSC-UHFFFAOYSA-N
Formula
C27H22N4O5S
Mass
514.56
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
Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Amidines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Anisole - Phenol ether - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Toluene - Organic nitro compound - C-nitro compound - Ether - Organic oxoazanium - Amidine - Organic 1,3-dipolar compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic nitrogen compound - Aromatic homomonocyclic 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