methyl 2-(3-nitropyridin-2-yl)sulfanylbenzoate

Systemtic Name: methyl 2-(3-nitropyridin-2-yl)sulfanylbenzoate Openeye Name: methyl 2-[(3-nitro-2-pyridyl)sulfanyl]benzoate CAS Name: 2-[(3-nitro-2-pyridinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(3-nitropyridin-2-yl)sulfanylbenzoate Traditional Name: 2-[(3-nitro-2-pyridyl)thio]benzoic acid methyl ester Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O4S/c1-19-13(16)9-5-2-3-7-11(9)20-12-10(15(17)18)6-4-8-14-12/h2-8H,1H3