3-nitro-4-pyrimidin-2-ylsulfanyl-benzoic acid

Systemtic Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzoic acid Openeye Name: 3-nitro-4-pyrimidin-2-ylsulfanyl-benzoic acid CAS Name: 3-nitro-4-(2-pyrimidinylthio)benzoic acid IUPAC Name: 3-nitro-4-pyrimidin-2-ylsulfanylbenzoic acid Traditional Name: 3-nitro-4-(2-pyrimidylthio)benzoic acid Formula: C11H7N3O4S MolecularWeight: 277.25598

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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)