Compound Identification
SMILES
CN1CCC2=C(C1)SC1=C2C(=O)N[C@H](N1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=JKSQDTZFWSLABO-CQSZACIVSA-N
Formula
C16H16N4O3S
Mass
344.39
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
3,4,5-trisubstituted-2-aminothiophenes Nitroaromatic compounds Secondary alkylarylamines Aralkylamines Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Aralkylamine - Secondary aliphatic/aromatic amine - 2-aminothiophene - Thiophene - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Lactam - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Secondary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic 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