Compound Identification
SMILES
CC1=CC=C(C=C1)C1=NC(CCNC2=C(C=O)C=C(C=C2)[N+]([O-])=O)=CS1
InChIKey
InChIKey=HDGIZFARBYXRMZ-UHFFFAOYSA-N
Formula
C19H17N3O3S
Mass
367.42
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
Aniline and substituted anilines Benzaldehydes Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines 2,4-disubstituted thiazoles Secondary alkylarylamines Toluenes Heteroaromatic compounds Vinylogous amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzaldehyde - Aniline or substituted anilines - Nitroaromatic compound - Phenylalkylamine - Benzaldehyde - Benzoyl - Aryl-aldehyde - Toluene - Secondary aliphatic/aromatic amine - Aralkylamine - 2,4-disubstituted 1,3-thiazole - Vinylogous amide - Thiazole - Azole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic nitrogen compound - Amine - Organic salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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