Compound Identification
SMILES
CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=C(C)C(=CC=C3)[N+]([O-])=O)SC=C12)C1=CC=C(OC)C=C1
InChIKey
InChIKey=BFFDXNVDKLBPBD-UHFFFAOYSA-N
Formula
C24H20N4O7S
Mass
508.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
o-Toluamides Methoxyanilines Nitrotoluenes Thieno[3,4-d]pyridazines Benzamides Methoxybenzenes Nitroaromatic compounds Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Pyridazinones Heteroaromatic compounds Vinylogous amides Thiophenes Lactams Carboxylic acid esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - Thieno[3,4-d]pyridazine - Thienopyridazine - O-toluamide - Toluamide - Methoxyaniline - Nitrotoluene - Anisole - Phenoxy compound - Benzoyl - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridazinone - Toluene - Pyridazine - Vinylogous amide - Thiophene - Heteroaromatic compound - Lactam - C-nitro compound - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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