Compound Identification
SMILES
CC(C)(C)C1=CC=C(OCC(=O)N\N=C/C2=CC=C(S2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=OPXAKZWJBHREMH-ZDLGFXPLSA-N
Formula
C17H19N3O4S
Mass
361.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
- Level 5 2-nitrothiophenes
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Subclass
Nitrothiophenes
-
Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Nitrothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
2-nitrothiophenes
Alternative Parents
Phenylpropanes Phenoxy compounds Phenol ethers Nitroaromatic compounds 2,5-disubstituted thiophenes Alkyl aryl ethers Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxides Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - Phenylpropane - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.
External Descriptors
Not available