Compound Identification
SMILES
CCOC1=CC=CC=C1NC1=NN=C(SC(C)C(=O)NC2=CC=CC=C2[N+]([O-])=O)S1
InChIKey
InChIKey=LAFLNQOEPSGOIC-UHFFFAOYSA-N
Formula
C19H19N5O4S2
Mass
445.51
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 Aniline and substituted anilines N-arylamides Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers 2-amino-5-substituted-1,3,4-thiadiazoles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Anilide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - N-arylamide - Alkyl aryl ether - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - 2-amino-1,3,4-thiadiazole - Azole - Heteroaromatic compound - Thiadiazole - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Organic zwitterion - Organosulfur compound - Organic oxygen compound - 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