2-(6-nitropyridin-3-yl)sulfanylpropanoic acid

Systemtic Name: 2-(6-nitropyridin-3-yl)sulfanylpropanoic acid Openeye Name: 2-[(6-nitro-3-pyridyl)sulfanyl]propanoic acid CAS Name: 2-[(6-nitro-3-pyridinyl)thio]propanoic acid IUPAC Name: 2-(6-nitropyridin-3-yl)sulfanylpropanoic acid Traditional Name: 2-[(6-nitro-3-pyridyl)thio]propionic acid Formula: C8H8N2O4S MolecularWeight: 228.22512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CN=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=CN=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4S/c1-5(8(11)12)15-6-2-3-7(9-4-6)10(13)14/h2-5H,1H3,(H,11,12)