Compound Identification
SMILES
CC1=CC(C)=C(NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=JJVGVETVENFVSM-UHFFFAOYSA-N
Formula
C20H21N5O5S
Mass
443.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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 Benzoic acids and derivatives m-Xylenes Benzoyl derivatives Nitroaromatic compounds N-arylamides Fatty amides Thiosemicarbazides Secondary carboxylic acid amides Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organosulfur compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - Benzoyl - M-xylene - Xylene - N-arylamide - Fatty amide - Fatty acyl - Thiosemicarbazide - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - 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