2-(3-nitrophenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-nitrophenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(3-nitrophenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(3-nitrophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-nitrophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-nitrophenyl)thio]nicotinic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)SC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O4S/c15-12(16)10-5-2-6-13-11(10)19-9-4-1-3-8(7-9)14(17)18/h1-7H,(H,15,16)