2-(3-nitropyridin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-nitropyridin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(3-nitro-4-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(3-nitro-4-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-nitropyridin-4-yl)sulfanylacetic acid Traditional Name: 2-[(3-nitro-4-pyridyl)thio]acetic acid Formula: C7H6N2O4S MolecularWeight: 214.19854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC(=C1SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC(=C1SCC(=O)O)[N+](=O)[O-]

InChI

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