2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]nicotinate Formula: C14H9N2O5S- MolecularWeight: 317.29666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C14H10N2O5S/c17-12(9-3-1-4-10(7-9)16(20)21)8-22-13-11(14(18)19)5-2-6-15-13/h1-7H,8H2,(H,18,19)/p-1