Compound Identification
SMILES
COC1=CC=C(NC2=C(C=C(C=C2)C2=NNC(=S)O2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=GCBVNLMUOKOTIK-UHFFFAOYSA-N
Formula
C15H12N4O4S
Mass
344.35
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
Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Primary aromatic amines 1,3,4-oxadiazoles Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organosulfur compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminophenyl ether - Methoxyaniline - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Primary aromatic amine - Heteroaromatic compound - Azole - Oxadiazole - 1,3,4-oxadiazole - Organic nitro compound - C-nitro compound - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Amine - 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