Compound Identification
SMILES
CC1=NN2C(O)=C(SC2=N1)C(N1CCOCC1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=VCGSDOAOPLSYLG-UHFFFAOYSA-N
Formula
C16H17N5O4S
Mass
375.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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
Triazolothiazoles Nitroaromatic compounds Aralkylamines Morpholines Triazoles Thiazoles Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Triazolothiazole - Aralkylamine - Morpholine - Oxazinane - Azole - Heteroaromatic compound - Thiazole - 1,2,4-triazole - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Oxacycle - Azacycle - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organic zwitterion - Organic salt - Aromatic heteropolycyclic 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