[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-nitrobenzoate

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-nitrobenzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C17H11N3O6S MolecularWeight: 385.35074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O6S/c21-14-8-11(10-27-17-18-6-3-7-19-17)25-9-15(14)26-16(22)12-4-1-2-5-13(12)20(23)24/h1-9H,10H2