3-nitro-4-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzoic acid

Systemtic Name: 3-nitro-4-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzoic acid Openeye Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzoic acid CAS Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-3-nitrobenzoic acid IUPAC Name: 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzoic acid Traditional Name: 4-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-3-nitro-benzoic acid Formula: C11H7N3O6S MolecularWeight: 309.25478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=NC(=CC(=O)N2)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C11H7N3O6S/c15-8-4-9(16)13-11(12-8)21-7-2-1-5(10(17)18)3-6(7)14(19)20/h1-4H,(H,17,18)(H2,12,13,15,16)