Compound Identification
SMILES
CN1CCN(CC1)C(=O)C1=C(N=C(S1)C1=CC=CC=C1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LJBDFLFVPWRNFG-UHFFFAOYSA-N
Formula
C21H20N4O3S
Mass
408.48
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
Thiazolecarboxamides 2,4,5-trisubstituted thiazoles 2-heteroaryl carboxamides Nitroaromatic compounds N-methylpiperazines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Amine - Organic salt - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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