2-(5-nitropyridin-2-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(5-nitropyridin-2-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-nitro-2-pyridinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(5-nitropyridin-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(5-nitro-2-pyridyl)thio]nicotinic acid Formula: C11H7N3O4S MolecularWeight: 277.25598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H7N3O4S/c15-11(16)8-2-1-5-12-10(8)19-9-4-3-7(6-13-9)14(17)18/h1-6H,(H,15,16)