Compound Identification
SMILES
CN(C)C1=C(C=C(C=C2SC(=CC(=O)C(C)(C)C)N(CC3=CC=C(C=C3)C#N)C2=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=LINJVVSAAXZKFC-UHFFFAOYSA-N
Formula
C26H26N4O4S
Mass
490.58
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
Aniline and substituted anilines Benzonitriles Dialkylarylamines Nitroaromatic compounds Vinylogous amides Thiazoles Acryloyl compounds Enones Heteroaromatic compounds Ketones Lactams Nitriles Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Benzonitrile - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Acryloyl-group - Azole - Enone - Thiazole - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Ketone - Tertiary amine - Lactam - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Amine - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - 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