5-nitro-2-(4-oxidanidylpyrimidin-2-yl)sulfanyl-benzoate

Systemtic Name: 5-nitro-2-(4-oxidanidylpyrimidin-2-yl)sulfanyl-benzoate Openeye Name: 5-nitro-2-(4-oxidopyrimidin-2-yl)sulfanyl-benzoate CAS Name: 5-nitro-2-[(4-oxido-2-pyrimidinyl)thio]benzoate IUPAC Name: 5-nitro-2-(4-oxidopyrimidin-2-yl)sulfanylbenzoate Traditional Name: 5-nitro-2-[(4-oxidopyrimidin-2-yl)thio]benzoate Formula: C11H5N3O5S-2 MolecularWeight: 291.2395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N3O5S/c15-9-3-4-12-11(13-9)20-8-2-1-6(14(18)19)5-7(8)10(16)17/h1-5H,(H,16,17)(H,12,13,15)/p-2