methyl 3-nitro-4-pyridin-2-ylsulfanyl-benzoate

Systemtic Name: methyl 3-nitro-4-pyridin-2-ylsulfanyl-benzoate Openeye Name: methyl 3-nitro-4-(2-pyridylsulfanyl)benzoate CAS Name: 3-nitro-4-(2-pyridinylthio)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-pyridin-2-ylsulfanylbenzoate Traditional Name: 3-nitro-4-(2-pyridylthio)benzoic acid methyl ester Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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