Compound Identification
SMILES
[O-][N+](=O)C1=CC(C=O)=C(SC2=NNC(=N2)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=AANBXHQWUISUIT-UHFFFAOYSA-N
Formula
C15H9ClN4O3S
Mass
360.77
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 Phenyl-1,2,4-triazoles Thiophenol ethers Benzaldehydes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Vinylogous thioesters Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzaldehyde - Phenyltriazole - Phenyl-1,2,4-triazole - Diarylthioether - Aryl thioether - Nitroaromatic compound - Benzaldehyde - Benzoyl - Thiophenol ether - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous thioester - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic zwitterion - 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