3-nitrosulfanyl-2-oxidanylidene-1H-pyridine-4-carboxylic acid

Systemtic Name: 3-nitrosulfanyl-2-oxidanylidene-1H-pyridine-4-carboxylic acid Openeye Name: 3-nitrosulfanyl-2-oxo-1H-pyridine-4-carboxylic acid CAS Name: 3-(nitrothio)-2-oxo-1H-pyridine-4-carboxylic acid IUPAC Name: 3-nitrosulfanyl-2-oxo-1H-pyridine-4-carboxylic acid Traditional Name: 2-keto-3-(nitrothio)-1H-pyridine-4-carboxylic acid Formula: C6H4N2O5S MolecularWeight: 216.17136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=O)C(=C1C(=O)O)S[N+](=O)[O-]

Isomeric SMILES

C1=CNC(=O)C(=C1C(=O)O)S[N+](=O)[O-]

InChI

InChI=1S/C6H4N2O5S/c9-5-4(14-8(12)13)3(6(10)11)1-2-7-5/h1-2H,(H,7,9)(H,10,11)