Compound Identification
SMILES
CC1=C(OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=CC(Cl)=C1
InChIKey
InChIKey=AQQNUTOCJMSVOS-UHFFFAOYSA-N
Formula
C17H15ClN4O5S
Mass
422.84
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiosemicarbazides Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organosulfur compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Thiosemicarbazide - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - 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