5-nitro-2-pyrimidin-2-ylsulfanyl-benzoate

Systemtic Name: 5-nitro-2-pyrimidin-2-ylsulfanyl-benzoate Openeye Name: 5-nitro-2-pyrimidin-2-ylsulfanyl-benzoate CAS Name: 5-nitro-2-(2-pyrimidinylthio)benzoate IUPAC Name: 5-nitro-2-pyrimidin-2-ylsulfanylbenzoate Traditional Name: 5-nitro-2-(2-pyrimidylthio)benzoate Formula: C11H6N3O4S- MolecularWeight: 276.24804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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