Compound Identification
SMILES
[O-][N+](=O)C1=C(SC2=NC=NN2)C=CC(C=O)=C1
InChIKey
InChIKey=OVDSWHHRPWESRG-UHFFFAOYSA-N
Formula
C9H6N4O3S
Mass
250.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrobenzaldehydes
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzaldehydes
Alternative Parents
Diarylthioethers Thiophenol ethers Benzaldehydes Benzoyl derivatives Nitroaromatic compounds Triazoles Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzaldehyde - Diarylthioether - Aryl thioether - Nitroaromatic compound - Benzaldehyde - Benzoyl - Thiophenol ether - Aryl-aldehyde - Azole - Heteroaromatic compound - 1,2,4-triazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aldehyde - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
External Descriptors
Not available