Compound Identification
SMILES
CC1CCN(CC1)C1=NC(=O)C(S1)=CC1=CC=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ZKFMDHMPISSDAV-UHFFFAOYSA-N
Formula
C23H23N3O4S
Mass
437.51
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
Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Piperidines Thiazolines Isothioureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids and derivatives Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic salts Amines Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Piperidine - Meta-thiazoline - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboximidamide - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic 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