Compound Identification
SMILES
COC1=CC(C=C2SC3=[N+](C2=O)C(=CS3)C2=CC(=CC=C2)[N+]([O-])=O)=CC(OC)=C1OC
InChIKey
InChIKey=CIILKHKNVQCWMT-UHFFFAOYSA-N
Formula
C21H17N2O6S2
Mass
457.49
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
Anisoles Phenoxy compounds Aryl thioethers Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Thiazoles Heteroaromatic compounds Lactams Thioenol ethers Organic oxoazanium compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Thioenolether - C-nitro compound - Lactam - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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