2-(6-nitropyridin-3-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(6-nitropyridin-3-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(6-nitro-3-pyridyl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(6-nitro-3-pyridinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(6-nitropyridin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(6-nitro-3-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=CN=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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