Compound Identification
SMILES
CCC(C)(C)[C@@H]1CCC2=C(C1)SC1=C2C(=O)N[C@H](N1)C1=CC=C(O1)C1=C(Cl)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ARQISLFCDLMEBJ-MCMMXHMISA-N
Formula
C25H26ClN3O4S
Mass
500.01
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 Chlorobenzenes Aryl chlorides Vinylogous amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - 2-aminothiophene - Furan - Heteroaromatic compound - Thiophene - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Azacycle - Organic salt - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Amine - 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