Compound Identification
SMILES
CCNC=C(SC1=C(Cl)C=CC(=C1)[N+]([O-])=O)C(=O)OC
InChIKey
InChIKey=RRVCYIIKBHEBDF-UHFFFAOYSA-N
Formula
C12H13ClN2O4S
Mass
316.76
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
Aryl thioethers Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous amides Enoate esters Methyl esters Thioenol ethers Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Enamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Thioenolether - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Sulfenyl compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic nitrogen compound - Organic cation - 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