Compound Identification
SMILES
CCOC(=O)CSCC(=O)NCCNC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XLZANECRBIWJDX-UHFFFAOYSA-N
Formula
C14H19N3O5S
Mass
341.38
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
Aniline and substituted anilines Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Amino acids and derivatives Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Dialkylthioether - Secondary amine - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Amine - Organic salt - Organic oxide - Hydrocarbon derivative - 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