Compound Identification
SMILES
CCC(C)(C)[C@@H]1CCC2=C(C1)SC1=C2C(=O)N[C@H](N1)\C=C\C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=DPEVXLPYRRHXBG-YQLYKAFASA-N
Formula
C23H27N3O3S
Mass
425.55
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 Styrenes Nitroaromatic compounds Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organooxygen compounds Organic salts Organic oxides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Styrene - 2-aminothiophene - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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