2-(3-nitropyridin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3-nitropyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(3-nitro-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-nitro-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-nitropyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-nitro-2-pyridyl)thio]acetate Formula: C7H5N2O4S- MolecularWeight: 213.1906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O4S/c10-6(11)4-14-7-5(9(12)13)2-1-3-8-7/h1-3H,4H2,(H,10,11)/p-1