3-nitro-4-pyrimidin-2-ylsulfanyl-benzoate

Systemtic Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzoate Openeye Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzoate CAS Name: 3-nitro-4-(2-pyrimidinylthio)benzoate IUPAC Name: 3-nitro-4-pyrimidin-2-ylsulfanylbenzoate Traditional Name: 3-nitro-4-(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)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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