Compound Identification
SMILES
CC(C)OC(=O)C1=C(C)NC2=CC(=O)NC(=S)N2[C@H]1C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LTJDDPGANWGWHY-INIZCTEOSA-N
Formula
C18H18N4O5S
Mass
402.43
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
Nitroaromatic compounds 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Vinylogous amides Enoate esters Heteroaromatic compounds Thioureas Lactams Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Pyrimidine - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Lactam - C-nitro compound - Thiourea - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Carbonyl group - Amine - Aromatic heteropolycyclic 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