Compound Identification
SMILES
CC1=CC(NC(=O)C(C#N)=C2SC(=CC3=CC(=CC=C3)[N+]([O-])=O)C(=O)N2C2=CC=CC=C2)=CC(C)=C1
InChIKey
InChIKey=LADIRNFJKHLZQT-UHFFFAOYSA-N
Formula
C27H20N4O4S
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
Anilides m-Xylenes Nitroaromatic compounds N-arylamides Vinylogous amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Nitroaromatic compound - M-xylene - Xylene - N-arylamide - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Cyanide - Organic salt - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Organic oxide - 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