5-[(1R)-1-(3-nitrophenyl)-3-oxidanylidene-3-thiophen-2-yl-propyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate

Systemtic Name: 5-[(1R)-1-(3-nitrophenyl)-3-oxidanylidene-3-thiophen-2-yl-propyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate Openeye Name: 5-[(1R)-1-(3-nitrophenyl)-3-oxo-3-(2-thienyl)propyl]-2,4-dioxo-1H-pyrimidin-6-olate CAS Name: 5-[(1R)-1-(3-nitrophenyl)-3-oxo-3-thiophen-2-ylpropyl]-2,4-dioxo-1H-pyrimidin-6-olate IUPAC Name: 5-[(1R)-1-(3-nitrophenyl)-3-oxo-3-thiophen-2-ylpropyl]-2,4-dioxo-1H-pyrimidin-6-olate Traditional Name: 2,4-diketo-5-[(1R)-3-keto-1-(3-nitrophenyl)-3-(2-thienyl)propyl]-1H-pyrimidin-6-olate Formula: C17H12N3O6S- MolecularWeight: 386.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)C2=CC=CS2)C3=C(NC(=O)NC3=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[C@@H](CC(=O)C2=CC=CS2)C3=C(NC(=O)NC3=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c21-12(13-5-2-6-27-13)8-11(9-3-1-4-10(7-9)20(25)26)14-15(22)18-17(24)19-16(14)23/h1-7,11H,8H2,(H3,18,19,22,23,24)/p-1/t11-/m1/s1