3-(3-nitropyridin-2-yl)sulfanylpropanoate

Systemtic Name: 3-(3-nitropyridin-2-yl)sulfanylpropanoate Openeye Name: 3-[(3-nitro-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-nitro-2-pyridinyl)thio]propanoate IUPAC Name: 3-(3-nitropyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-nitro-2-pyridyl)thio]propionate Formula: C8H7N2O4S- MolecularWeight: 227.21718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O4S/c11-7(12)3-5-15-8-6(10(13)14)2-1-4-9-8/h1-2,4H,3,5H2,(H,11,12)/p-1