Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CSC(=N1)N1N=C(C(=NNC2=CC(=C(C)C=C2)[N+]([O-])=O)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=FDVOVVNDEZEWDP-UHFFFAOYSA-N
Formula
C26H20N6O4S
Mass
512.54
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
Nitrotoluenes Phenylhydrazines Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Pyrazolones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrazones Organic salts Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Phenylhydrazine - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Toluene - Pyrazolinone - Azole - Heteroaromatic compound - Pyrazoline - Thiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrazone - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic zwitterion - 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