Compound Identification
SMILES
CCOC1=CC=C(NC(=O)[C@H](C)SC2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=QYVRXMCPMZHZAO-LBPRGKRZSA-N
Formula
C17H18N2O4S
Mass
346.4
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 Thiophenol ethers Phenoxy compounds Phenol ethers N-arylamides Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Anilide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - Thiophenol ether - N-arylamide - Alkyl aryl ether - Alkylarylthioether - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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